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    HEADER    OXYGEN TRANSPORT                        23-FEB-07   2JHO              
    TITLE     CYANOMET SPERM WHALE MYOGLOBIN AT 1.4A RESOLUTION                     
    COMPND    MOL_ID: 1;                                                            
    COMPND   2 MOLECULE: MYOGLOBIN;                                                 
    COMPND   3 CHAIN: A                                                             
    SOURCE    MOL_ID: 1;                                                            
    SOURCE   2 SYNTHETIC: YES;                                                      
    SOURCE   3 ORGANISM_SCIENTIFIC: PHYSETER CATODON;                               
    SOURCE   4 ORGANISM_COMMON: SPERM WHALE;                                        
    SOURCE   5 ORGANISM_TAXID: 9755;                                                
    SOURCE   6 TISSUE: BLOOD                                                        
    KEYWDS    OXYGEN TRANSPORT, HEME, IRON, TRANSPORT, METAL-BINDING,               
    KEYWDS   2 MUSCLE PROTEIN                                                       
    EXPDTA    X-RAY DIFFRACTION                                                     
    AUTHOR    A.ARCOVITO,M.BENFATTO,M.CIANCI,S.S.HASNAIN,K.NIENHAUS,                
    AUTHOR   2 G.U.NIENHAUS,C.SAVINO,R.W.STRANGE,B.VALLONE,S.DELLA LONGA            
    REVDAT   4   24-FEB-09 2JHO    1       VERSN                                    
    REVDAT   3   11-DEC-07 2JHO    1       AUTHOR JRNL                              
    REVDAT   2   24-APR-07 2JHO    1       JRNL                                     
    REVDAT   1   03-APR-07 2JHO    0                                                
    JRNL        AUTH   A.ARCOVITO,M.BENFATTO,M.CIANCI,S.S.HASNAIN,                  
    JRNL        AUTH 2 K.NIENHAUS,G.U.NIENHAUS,C.SAVINO,R.W.STRANGE,                
    JRNL        AUTH 3 B.VALLONE,S.DELLA LONGA                                      
    JRNL        TITL   X-RAY STRUCTURE ANALYSIS OF A METALLOPROTEIN WITH            
    JRNL        TITL 2 ENHANCED ACTIVE-SITE RESOLUTION USING IN SITU X-             
    JRNL        TITL 3 RAY ABSORPTION NEAR EDGE STRUCTURE SPECTROSCOPY.             
    JRNL        REF    PROC.NAT.ACAD.SCI.USA         V. 104  6211 2007              
    JRNL        REFN                   ISSN 0027-8424                               
    JRNL        PMID   17404234                                                     
    JRNL        DOI    10.1073/PNAS.0608411104                                      
    REMARK   2                                                                      
    REMARK   2 RESOLUTION.    1.4  ANGSTROMS.                                       
    REMARK   3                                                                      
    REMARK   3 REFINEMENT.                                                          
    REMARK   3   PROGRAM     : REFMAC 5.2.0005                                      
    REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
    REMARK   3                                                                      
    REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
    REMARK   3                                                                      
    REMARK   3  DATA USED IN REFINEMENT.                                            
    REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40                           
    REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 61.43                          
    REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
    REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.8                           
    REMARK   3   NUMBER OF REFLECTIONS             : 22431                          
    REMARK   3                                                                      
    REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
    REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
    REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
    REMARK   3   R VALUE     (WORKING + TEST SET) : 0.181                           
    REMARK   3   R VALUE            (WORKING SET) : 0.180                           
    REMARK   3   FREE R VALUE                     : 0.234                           
    REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
    REMARK   3   FREE R VALUE TEST SET COUNT      : 1195                            
    REMARK   3                                                                      
    REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
    REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
    REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.40                         
    REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.44                         
    REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1339                         
    REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
    REMARK   3   BIN R VALUE           (WORKING SET) : 0.3500                       
    REMARK   3   BIN FREE R VALUE SET COUNT          : 68                           
    REMARK   3   BIN FREE R VALUE                    : 0.4010                       
    REMARK   3                                                                      
    REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
    REMARK   3   PROTEIN ATOMS            : 1227                                    
    REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
    REMARK   3   HETEROGEN ATOMS          : 52                                      
    REMARK   3   SOLVENT ATOMS            : 188                                     
    REMARK   3                                                                      
    REMARK   3  B VALUES.                                                           
    REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
    REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 27.34                          
    REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
    REMARK   3    B11 (A**2) : 0.26000                                              
    REMARK   3    B22 (A**2) : 0.50000                                              
    REMARK   3    B33 (A**2) : -0.68000                                             
    REMARK   3    B12 (A**2) : 0.00000                                              
    REMARK   3    B13 (A**2) : 0.14000                                              
    REMARK   3    B23 (A**2) : 0.00000                                              
    REMARK   3                                                                      
    REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
    REMARK   3   ESU BASED ON R VALUE                            (A): 0.103         
    REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.087         
    REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.076         
    REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.282         
    REMARK   3                                                                      
    REMARK   3 CORRELATION COEFFICIENTS.                                            
    REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.974                         
    REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.954                         
    REMARK   3                                                                      
    REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
    REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1312 ; 0.018 ; 0.022       
    REMARK   3   BOND LENGTHS OTHERS               (A):  1312 ; 0.018 ; 0.022       
    REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1780 ; 2.176 ; 2.057       
    REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1780 ; 2.176 ; 2.057       
    REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   156 ; 6.015 ; 5.000       
    REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    56 ;34.096 ;24.464       
    REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   239 ;15.158 ;15.000       
    REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     4 ;20.251 ;15.000       
    REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   184 ; 0.156 ; 0.200       
    REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   970 ; 0.014 ; 0.020       
    REMARK   3   GENERAL PLANES OTHERS             (A):   970 ; 0.014 ; 0.020       
    REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   770 ; 0.320 ; 0.200       
    REMARK   3   NON-BONDED CONTACTS OTHERS        (A):   770 ; 0.320 ; 0.200       
    REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):   890 ; 0.319 ; 0.200       
    REMARK   3   NON-BONDED TORSION OTHERS         (A):   890 ; 0.319 ; 0.200       
    REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   139 ; 0.213 ; 0.200       
    REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
    REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
    REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
    REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    70 ; 0.247 ; 0.200       
    REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
    REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    34 ; 0.214 ; 0.200       
    REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
    REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
    REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
    REMARK   3                                                                      
    REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
    REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   764 ; 2.503 ; 1.500       
    REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
    REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1217 ; 3.324 ; 2.000       
    REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   548 ; 4.275 ; 3.000       
    REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   561 ; 5.370 ; 4.500       
    REMARK   3                                                                      
    REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
    REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
    REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
    REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
    REMARK   3                                                                      
    REMARK   3  NCS RESTRAINTS STATISTICS                                           
    REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
    REMARK   3                                                                      
    REMARK   3  TLS DETAILS                                                         
    REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
    REMARK   3                                                                      
    REMARK   3  BULK SOLVENT MODELLING.                                             
    REMARK   3   METHOD USED : MASK                                                 
    REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
    REMARK   3   VDW PROBE RADIUS   : 1.20                                          
    REMARK   3   ION PROBE RADIUS   : 0.80                                          
    REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
    REMARK   3                                                                      
    REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE          
    REMARK   3  RIDING POSITIONS.                                                   
    REMARK   4                                                                      
    REMARK   4 2JHO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
    REMARK 100                                                                      
    REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-FEB-07.                  
    REMARK 100 THE PDBE ID CODE IS EBI-31573.                                       
    REMARK 200                                                                      
    REMARK 200 EXPERIMENTAL DETAILS                                                 
    REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
    REMARK 200  DATE OF DATA COLLECTION        : 01-OCT-05                          
    REMARK 200  TEMPERATURE           (KELVIN) : 100                                
    REMARK 200  PH                             : NULL                               
    REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
    REMARK 200                                                                      
    REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
    REMARK 200  RADIATION SOURCE               : SRS                                
    REMARK 200  BEAMLINE                       : PX10.1                             
    REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
    REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
    REMARK 200  WAVELENGTH OR RANGE        (A) : 0.98                               
    REMARK 200  MONOCHROMATOR                  : NI FILTER                          
    REMARK 200  OPTICS                         : MIRRORS                            
    REMARK 200                                                                      
    REMARK 200  DETECTOR TYPE                  : AREA DETECTOR                      
    REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
    REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL2000                            
    REMARK 200  DATA SCALING SOFTWARE          : HKL2000                            
    REMARK 200                                                                      
    REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22431                              
    REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.38                               
    REMARK 200  RESOLUTION RANGE LOW       (A) : 50.00                              
    REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.0                                
    REMARK 200                                                                      
    REMARK 200 OVERALL.                                                             
    REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.9                               
    REMARK 200  DATA REDUNDANCY                : 6.1                                
    REMARK 200  R MERGE                    (I) : 0.04                               
    REMARK 200  R SYM                      (I) : NULL                               
    REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 32.00                              
    REMARK 200                                                                      
    REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
    REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.38                     
    REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.43                     
    REMARK 200  COMPLETENESS FOR SHELL     (%) : 72.0                               
    REMARK 200  DATA REDUNDANCY IN SHELL       : 2.9                                
    REMARK 200  R MERGE FOR SHELL          (I) : 0.18                               
    REMARK 200  R SYM FOR SHELL            (I) : NULL                               
    REMARK 200  <I/SIGMA(I)> FOR SHELL         : 5.00                               
    REMARK 200                                                                      
    REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
    REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
    REMARK 200 SOFTWARE USED: MOLREP                                                
    REMARK 200 STARTING MODEL: NULL                                                 
    REMARK 200                                                                      
    REMARK 200 REMARK: NONE                                                         
    REMARK 280                                                                      
    REMARK 280 CRYSTAL                                                              
    REMARK 280 SOLVENT CONTENT, VS   (%): 47                                        
    REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.3                      
    REMARK 280                                                                      
    REMARK 280 CRYSTALLIZATION CONDITIONS: 3.2 M AMMONIUM SULPHATE AND              
    REMARK 280  0.05 M PHOSPHATE BUFFER (PH 6.5)                                    
    REMARK 290                                                                      
    REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
    REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
    REMARK 290                                                                      
    REMARK 290      SYMOP   SYMMETRY                                                
    REMARK 290     NNNMMM   OPERATOR                                                
    REMARK 290       1555   X,Y,Z                                                   
    REMARK 290       2555   -X,Y+1/2,-Z                                             
    REMARK 290                                                                      
    REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
    REMARK 290           MMM -> TRANSLATION VECTOR                                  
    REMARK 290                                                                      
    REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
    REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
    REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
    REMARK 290 RELATED MOLECULES.                                                   
    REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
    REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
    REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
    REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
    REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       14.89300            
    REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
    REMARK 290                                                                      
    REMARK 290 REMARK: NULL                                                         
    REMARK 300                                                                      
    REMARK 300 BIOMOLECULE: 1                                                       
    REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
    REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
    REMARK 300 THIS ENTRY.  THE REMARK MAY ALSO PROVIDE INFORMATION ON              
    REMARK 300 BURIED SURFACE AREA.                                                 
    REMARK 350                                                                      
    REMARK 350 GENERATING THE BIOMOLECULE                                           
    REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
    REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
    REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
    REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
    REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
    REMARK 350                                                                      
    REMARK 350 BIOMOLECULE:  1                                                      
    REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
    REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
    REMARK 350 SOFTWARE USED: PQS                                                   
    REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
    REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
    REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
    REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
    REMARK 465                                                                      
    REMARK 465 MISSING RESIDUES                                                     
    REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
    REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
    REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
    REMARK 465                                                                      
    REMARK 465   M RES C SSSEQI                                                     
    REMARK 465     MET A     0                                                      
    REMARK 500                                                                      
    REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
    REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
    REMARK 500                                                                      
    REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
    REMARK 500                                                                      
    REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
    REMARK 500   OE2  GLU A    59  -  O    HOH A  2098              1.85            
    REMARK 500   O    LEU A   115  -  O    HOH A  2138              2.20            
    REMARK 500   O    HOH A  2020  -  O    HOH A  2152              1.98            
    REMARK 500                                                                      
    REMARK 500 REMARK: NULL                                                         
    REMARK 500                                                                      
    REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
    REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
    REMARK 500                                                                      
    REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
    REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
    REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
    REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
    REMARK 500                                                                      
    REMARK 500 STANDARD TABLE:                                                      
    REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
    REMARK 500                                                                      
    REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
    REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
    REMARK 500                                                                      
    REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
    REMARK 500    GLU A   4   CD    GLU A   4   OE1     0.232                       
    REMARK 500    GLU A   4   CD    GLU A   4   OE2     0.113                       
    REMARK 500    GLU A   4   CG    GLU A   4   CD      0.102                       
    REMARK 500    GLU A   4   C     GLU A   4   O       0.119                       
    REMARK 500                                                                      
    REMARK 500 REMARK: NULL                                                         
    REMARK 500                                                                      
    REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
    REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
    REMARK 500                                                                      
    REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
    REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
    REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
    REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
    REMARK 500                                                                      
    REMARK 500 STANDARD TABLE:                                                      
    REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
    REMARK 500                                                                      
    REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
    REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
    REMARK 500                                                                      
    REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
    REMARK 500    GLU A   4   CG  -  CD  -  OE2 ANGL. DEV. = -12.1 DEGREES          
    REMARK 500    GLU A   4   OE1 -  CD  -  OE2 ANGL. DEV. =   7.8 DEGREES          
    REMARK 500    LEU A  89   CA  -  CB  -  CG  ANGL. DEV. =  16.3 DEGREES          
    REMARK 500                                                                      
    REMARK 500 REMARK: NULL                                                         
    REMARK 500                                                                      
    REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
    REMARK 500 SUBTOPIC: TORSION ANGLES                                             
    REMARK 500                                                                      
    REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
    REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
    REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
    REMARK 500 STANDARD TABLE:                                                      
    REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
    REMARK 500                                                                      
    REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
    REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
    REMARK 500                                                                      
    REMARK 500  M RES CSSEQI        PSI       PHI                                   
    REMARK 500    ASP A  20       75.60   -157.16                                   
    REMARK 500    HIS A 119       47.78   -143.79                                   
    REMARK 500    ASP A 122     -151.15   -113.49                                   
    REMARK 500                                                                      
    REMARK 500 REMARK: NULL                                                         
    REMARK 525                                                                      
    REMARK 525 SOLVENT                                                              
    REMARK 525                                                                      
    REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
    REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
    REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
    REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
    REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
    REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
    REMARK 525 NUMBER; I=INSERTION CODE):                                           
    REMARK 620                                                                      
    REMARK 620 METAL COORDINATION                                                   
    REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
    REMARK 620   SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                           
    REMARK 620                                                                      
    REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
    REMARK 620                             HEM A1154  FE                            
    REMARK 620 N RES CSSEQI ATOM                                                    
    REMARK 620 1 HIS A  93   NE2                                                    
    REMARK 620 2 HEM A1154   NA   92.1                                              
    REMARK 620 3 HEM A1154   NB   89.4  91.7                                        
    REMARK 620 4 HEM A1154   NC   90.4 177.1  89.7                                  
    REMARK 620 5 HEM A1154   ND   91.2  89.0 179.0  89.5                            
    REMARK 620 6 CYN A1155   C   176.3  91.5  91.2  86.0  88.1                      
    REMARK 620 N                    1     2     3     4     5                       
    REMARK 620                                                                      
    REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
    REMARK 620                              ZN A1157  ZN                            
    REMARK 620 N RES CSSEQI ATOM                                                    
    REMARK 620 1 HIS A  36   ND1                                                    
    REMARK 620 2 HOH A2184   O   161.3                                              
    REMARK 620 3 HOH A2185   O   115.1  68.6                                        
    REMARK 620 4 HOH A2186   O   104.7  86.4 122.6                                  
    REMARK 620 N                    1     2     3                                   
    REMARK 800                                                                      
    REMARK 800 SITE                                                                 
    REMARK 800 SITE_IDENTIFIER: AC1                                                 
    REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
    REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A1154                 
    REMARK 800                                                                      
    REMARK 800 SITE_IDENTIFIER: AC2                                                 
    REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
    REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CYN A1155                 
    REMARK 800                                                                      
    REMARK 800 SITE_IDENTIFIER: AC3                                                 
    REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
    REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A1156                 
    REMARK 800                                                                      
    REMARK 800 SITE_IDENTIFIER: AC4                                                 
    REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
    REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  ZN A1157                 
    REMARK 800                                                                      
    REMARK 800 SITE_IDENTIFIER: AC5                                                 
    REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
    REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  ZN A1158                 
    REMARK 900                                                                      
    REMARK 900 RELATED ENTRIES                                                      
    REMARK 900 RELATED ID: 101M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN F46V N-BUTYL                                  
    REMARK 900  ISOCYANIDE AT PH 9.0                                                
    REMARK 900 RELATED ID: 102M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN H64A AQUOMET AT PH 9.0                        
    REMARK 900 RELATED ID: 103M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN H64A N-BUTYL                                  
    REMARK 900  ISOCYANIDE AT PH 9.0                                                
    REMARK 900 RELATED ID: 104M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN N-BUTYL ISOCYANIDE AT                         
    REMARK 900   PH 7.0                                                             
    REMARK 900 RELATED ID: 105M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN N-BUTYL ISOCYANIDE AT                         
    REMARK 900   PH 9.0                                                             
    REMARK 900 RELATED ID: 106M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN V68F ETHYL ISOCYANIDE                         
    REMARK 900  AT PH 9.0                                                           
    REMARK 900 RELATED ID: 107M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN V68F N-BUTYL                                  
    REMARK 900  ISOCYANIDE AT PH 9.0                                                
    REMARK 900 RELATED ID: 108M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN V68F N-BUTYL                                  
    REMARK 900  ISOCYANIDE AT PH 7.0                                                
    REMARK 900 RELATED ID: 109M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN D122N ETHYL ISOCYANIDE                        
    REMARK 900  AT PH 9.0                                                           
    REMARK 900 RELATED ID: 110M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN D122N METHYL ISOCYANIDE                       
    REMARK 900   AT PH 9.0                                                          
    REMARK 900 RELATED ID: 111M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN D112N N-BUTYL                                 
    REMARK 900  ISOCYANIDE AT PH 9.0                                                
    REMARK 900 RELATED ID: 112M   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN D122N N-PROPYL                                
    REMARK 900  ISOCYANIDE AT PH 9.0                                                
    REMARK 900 RELATED ID: 1A6G   RELATED DB: PDB                                   
    REMARK 900  CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION                           
    REMARK 900 RELATED ID: 1A6K   RELATED DB: PDB                                   
    REMARK 900  AQUOMET-MYOGLOBIN, ATOMIC RESOLUTION                                
    REMARK 900 RELATED ID: 1A6M   RELATED DB: PDB                                   
    REMARK 900  OXY-MYOGLOBIN, ATOMIC RESOLUTION                                    
    REMARK 900 RELATED ID: 1A6N   RELATED DB: PDB                                   
    REMARK 900  DEOXY-MYOGLOBIN, ATOMIC RESOLUTION                                  
    REMARK 900 RELATED ID: 1ABS   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYSED CARBONMONOXY-MYOGLOBIN AT 20 K                           
    REMARK 900 RELATED ID: 1AJG   RELATED DB: PDB                                   
    REMARK 900  CARBONMONOXY MYOGLOBIN AT 40 K                                      
    REMARK 900 RELATED ID: 1AJH   RELATED DB: PDB                                   
    REMARK 900  PHOTOPRODUCT OF CARBONMONOXY MYOGLOBIN AT 40 K                      
    REMARK 900 RELATED ID: 1BVC   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF A BILIVERDIN APOMYOGLOBIN COMPLEX                      
    REMARK 900   (FORM D) AT 118 K                                                  
    REMARK 900 RELATED ID: 1BVD   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF A BILIVERDIN APOMYOGLOBIN COMPLEX                      
    REMARK 900   (FORM B) AT 98 K                                                   
    REMARK 900 RELATED ID: 1BZ6   RELATED DB: PDB                                   
    REMARK 900  ATOMIC RESOLUTION CRYSTAL STRUCTURE AQUOMET-                        
    REMARK 900  MYOGLOBIN FROM SPERM WHALE AT ROOM                                  
    REMARK 900  TEMPERATURE                                                         
    REMARK 900 RELATED ID: 1BZP   RELATED DB: PDB                                   
    REMARK 900  ATOMIC RESOLUTION CRYSTAL STRUCTURE ANALYSIS                        
    REMARK 900  OF NATIVE DEOXY AND CO MYOGLOBIN FROM                               
    REMARK 900  SPERM WHALE AT ROOM TEMPERATURE                                     
    REMARK 900 RELATED ID: 1BZR   RELATED DB: PDB                                   
    REMARK 900  ATOMIC RESOLUTION CRYSTAL STRUCTURE ANALYSIS                        
    REMARK 900  OF NATIVE DEOXY AND CO MYOGLOBIN FROM                               
    REMARK 900  SPERM WHALE AT ROOM TEMPERATURE                                     
    REMARK 900 RELATED ID: 1CH1   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L89G MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CH2   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L89F MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CH3   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L89W MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CH5   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN H97V MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CH7   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN H97F MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CH9   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN H97Q MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CIK   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN I99A MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CIO   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN I99V MUTANT                       
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CO8   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L104A MUTANT                      
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CO9   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L104V MUTANT                      
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CP0   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L104N MUTANT                      
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CP5   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L104F MUTANT                      
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CPW   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L104W MUTANT                      
    REMARK 900   (MET)                                                              
    REMARK 900 RELATED ID: 1CQ2   RELATED DB: PDB                                   
    REMARK 900  NEUTRON STRUTURE OF FULLY DEUTERATED SPERM                          
    REMARK 900  WHALE MYOGLOBIN AT 2.0 ANGSTROM                                     
    REMARK 900 RELATED ID: 1DO1   RELATED DB: PDB                                   
    REMARK 900  CARBONMONOXY-MYOGLOBIN MUTANT L29W AT 105K                          
    REMARK 900 RELATED ID: 1DO3   RELATED DB: PDB                                   
    REMARK 900  CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER                          
    REMARK 900  PHOTOLYSIS AT T>180K                                                
    REMARK 900 RELATED ID: 1DO4   RELATED DB: PDB                                   
    REMARK 900  CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER                          
    REMARK 900  PHOTOLYSIS AT T<180K                                                
    REMARK 900 RELATED ID: 1DO7   RELATED DB: PDB                                   
    REMARK 900  CARBONMONOXY-MYOGLOBIN (MUTANT L29W) REBINDING                      
    REMARK 900  STRUCTURE AFTER PHOTOLYSIS AT T< 180K                               
    REMARK 900 RELATED ID: 1DTI   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN H97D, D122N                       
    REMARK 900   MUTANT (MET)                                                       
    REMARK 900 RELATED ID: 1DTM   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF THE SPERM-WHALE                                
    REMARK 900  MYOGLOBIN MUTANT H93G COMPLEXED WITH 4-                             
    REMARK 900  METHYLIMIDAZOLE, METAQUO FORM                                       
    REMARK 900 RELATED ID: 1DUK   RELATED DB: PDB                                   
    REMARK 900  WILD-TYPE RECOMBINANT SPERM WHALE                                   
    REMARK 900  METAQUOMYOGLOBIN                                                    
    REMARK 900 RELATED ID: 1DUO   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE METAQUOMYOGLOBIN PROXIMAL HISTIDINE                     
    REMARK 900   MUTANT H93G WITH 1-METHYLIMIDAZOLE AS                              
    REMARK 900  PROXIMAL LIGAND.                                                    
    REMARK 900 RELATED ID: 1DXC   RELATED DB: PDB                                   
    REMARK 900  CO COMPLEX OF MYOGLOBIN MB-YQR AT 100K                              
    REMARK 900 RELATED ID: 1DXD   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO COMPLEX OF MYOGLOBIN MB-YQR                           
    REMARK 900  AT 20K                                                              
    REMARK 900 RELATED ID: 1EBC   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MET-MYOGLOBIN:CYANIDE COMPLEX                           
    REMARK 900 RELATED ID: 1F63   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF DEOXY SPERM WHALE                              
    REMARK 900  MYOGLOBIN MUTANTY(B10)Q(E7)R(E10)                                   
    REMARK 900 RELATED ID: 1F65   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF OXY SPERM WHALE                                
    REMARK 900  MYOGLOBIN MUTANT Y(B10)Q(E7)R(E10)                                  
    REMARK 900 RELATED ID: 1F6H   RELATED DB: PDB                                   
    REMARK 900  COMBINED RIETVELD AND STEREOCHEMICAL RESTRAINT                      
    REMARK 900  REFINEMENTOF A PROTEIN                                              
    REMARK 900 RELATED ID: 1FCS   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN MUTANT WITH HIS 64 REPLACED BY                            
    REMARK 900  VAL AND THR 67 REPLACED BY ARG (H64V,                               
    REMARK 900  T67R)                                                               
    REMARK 900 RELATED ID: 1H1X   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN MUTANT T67R S92D                              
    REMARK 900 RELATED ID: 1HJT   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN (FERROUS, NITRIC OXIDE                        
    REMARK 900  BOUND)                                                              
    REMARK 900 RELATED ID: 1IOP   RELATED DB: PDB                                   
    REMARK 900  INCORPORATION OF A HEMIN WITH THE SHORTEST                          
    REMARK 900  ACID SIDE-CHAINS INTO MYOGLOBIN                                     
    REMARK 900 RELATED ID: 1IRC   RELATED DB: PDB                                   
    REMARK 900  CYSTEINE RICH INTESTINAL PROTEIN                                    
    REMARK 900 RELATED ID: 1J3F   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF AN ARTIFICIAL                                  
    REMARK 900  METALLOPROTEIN:CR(III)(3,3'-ME2-SALOPHEN)/                          
    REMARK 900  APO-A71G MYOGLOBIN                                                  
    REMARK 900 RELATED ID: 1J52   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN IN THE                            
    REMARK 900  PRESENCE OF 7ATMXENON                                               
    REMARK 900 RELATED ID: 1JDO   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN (FERROUS, NITRIC OXIDE                        
    REMARK 900  BOUND)                                                              
    REMARK 900 RELATED ID: 1JP6   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MET-MYOGLOBIN (ROOM TEMPERATURE;                        
    REMARK 900  ROOM PRESSURE)                                                      
    REMARK 900 RELATED ID: 1JP8   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MET-MYOGLOBIN (ROOM TEMPERATURE;                        
    REMARK 900  HIGH PRESSURE)                                                      
    REMARK 900 RELATED ID: 1JP9   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MET-MYOGLOBIN (LOW TEMPERATURE;                         
    REMARK 900  HIGH PRESSURE)                                                      
    REMARK 900 RELATED ID: 1JPB   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MET-MYOGLOBIN (LOW TEMPERATURE;                         
    REMARK 900  HIGH PRESSURE)                                                      
    REMARK 900 RELATED ID: 1JW8   RELATED DB: PDB                                   
    REMARK 900  1.3 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF                        
    REMARK 900   P6 FORM OFMYOGLOBIN                                                
    REMARK 900 RELATED ID: 1L2K   RELATED DB: PDB                                   
    REMARK 900  NEUTRON STRUCTURE DETERMINATION OF SPERM WHALE                      
    REMARK 900   MET-MYOGLOBIN AT 1.5A RESOLUTION.                                  
    REMARK 900 RELATED ID: 1LTW   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN 29W MUTANT                        
    REMARK 900   (OXY)                                                              
    REMARK 900 RELATED ID: 1LUE   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN H64D/V68A/                        
    REMARK 900  D122N MUTANT(MET)                                                   
    REMARK 900 RELATED ID: 1MBC   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (FE II, CARBONMONOXY, 260 DEGREES K)                      
    REMARK 900 RELATED ID: 1MBD   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY, PH 8.4)                                           
    REMARK 900 RELATED ID: 1MBI   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (FERRIC) COMPLEX WITH IMIDAZOLE                           
    REMARK 900 RELATED ID: 1MBN   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (FERRIC IRON - METMYOGLOBIN)                              
    REMARK 900 RELATED ID: 1MBO   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (OXY, PH 8.4)                                             
    REMARK 900 RELATED ID: 1MCY   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE MYOGLOBIN (MUTANT WITH INITIATOR                        
    REMARK 900  MET AND WITH HIS 64 REPLACED BY GLN, LEU                            
    REMARK 900   29 REPLACED BY PHE                                                 
    REMARK 900 RELATED ID: 1MGN   RELATED DB: PDB                                   
    REMARK 900  METMYOGLOBIN MUTANT WITH INITIATOR MET, ASP                         
    REMARK 900  122 REPLACED BY ASN, AND HIS 64 REPLACED                            
    REMARK 900  BY TYR (INS(M-V1),D122N,H64Y)                                       
    REMARK 900 RELATED ID: 1MLF   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, VAL 68 REPLACED BY ALA, ASP 122                                
    REMARK 900  REPLACED BY ASN (M0,V68A,D122N)                                     
    REMARK 900 RELATED ID: 1MLG   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  VAL 68 REPLACED BY ALA, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68A,D122N)                                              
    REMARK 900 RELATED ID: 1MLH   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  VAL 68 REPLACED BY ALA, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68A,D122N)                                              
    REMARK 900 RELATED ID: 1MLJ   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, VAL 68 REPLACED BY PHE, ASP 122                                
    REMARK 900  REPLACED BY ASN (M0,V68F,D122N)                                     
    REMARK 900 RELATED ID: 1MLK   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  VAL 68 REPLACED BY PHE, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68F,D122N)                                              
    REMARK 900 RELATED ID: 1MLL   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  VAL 68 REPLACED BY PHE, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68F,D122N)                                              
    REMARK 900 RELATED ID: 1MLM   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, VAL 68 REPLACED BY ILE, ASP 122                                
    REMARK 900  REPLACED BY ASN (M0,V68I,D122N)                                     
    REMARK 900 RELATED ID: 1MLN   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  VAL 68 REPLACED BY ILE, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68I,D122N)                                              
    REMARK 900 RELATED ID: 1MLO   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  VAL 68 REPLACED BY ILE, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68I,D122N)                                              
    REMARK 900 RELATED ID: 1MLQ   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, VAL 68 REPLACED BY LEU, ASP 122                                
    REMARK 900  REPLACED BY ASN (INS(M0),V68L,D122N)                                
    REMARK 900 RELATED ID: 1MLR   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  VAL 68 REPLACED BY LEU, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68L,D122N)                                              
    REMARK 900 RELATED ID: 1MLS   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  VAL 68 REPLACED BY LEU, ASP 122 REPLACED                            
    REMARK 900  BY ASN (M0,V68L,D122N)                                              
    REMARK 900 RELATED ID: 1MLU   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, HIS 64 REPLACED BY GLY, VAL 68                                 
    REMARK 900  REPLACED BY ALA, ASP 122 REPLACED BY ASN                            
    REMARK 900   (M0,H64G,V68A,D122N)                                               
    REMARK 900 RELATED ID: 1MOA   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  LEU 29 REPLACED BY PHE, ASP 122 REPLACED                            
    REMARK 900  BY ASN (INS(M0),L29F,D122N)                                         
    REMARK 900 RELATED ID: 1MOB   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  HIS 64 REPLACED BY GLY, ASP 122 REPLACED                            
    REMARK 900  BY ASN (INS(M0,H64G,D122N)                                          
    REMARK 900 RELATED ID: 1MOC   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, HIS 64 REPLACED BY THR, ASP 122                                
    REMARK 900  REPLACED BY ASN (INS(M0),H64T,D122N)                                
    REMARK 900 RELATED ID: 1MOD   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  HIS 64 REPLACED BY THR, ASP 122 REPLACED                            
    REMARK 900  BY ASN (INS(M0),H64T,D122N)                                         
    REMARK 900 RELATED ID: 1MTI   RELATED DB: PDB                                   
    REMARK 900  MOL_ID: 1; MOLECULE: MYOGLOBIN; CHAIN: NULL;                        
    REMARK 900  ENGINEERED: YES; MUTATION: INITIATOR MET, PHE                       
    REMARK 900   46 REPLACED BY LEU AND ASP 122 REPLACED                            
    REMARK 900   BY ASN (INS(MET 0), F46L, D122N);                                  
    REMARK 900  OTHER_DETAILS: FERRIC                                               
    REMARK 900 RELATED ID: 1MTJ   RELATED DB: PDB                                   
    REMARK 900  MOL_ID: 1; MOLECULE: MYOGLOBIN; CHAIN: NULL;                        
    REMARK 900  ENGINEERED: YES; MUTATION: INITIATOR MET, PHE                       
    REMARK 900   46 REPLACED BY VAL AND ASP 122 REPLACED                            
    REMARK 900   BY ASN (INS(MET 0), F46V, D122N);                                  
    REMARK 900  OTHER_DETAILS: DEOXY                                                
    REMARK 900 RELATED ID: 1MTK   RELATED DB: PDB                                   
    REMARK 900  MOL_ID: 1; MOLECULE: MYOGLOBIN; CHAIN: NULL;                        
    REMARK 900  ENGINEERED: YES; MUTATION: INITIATOR MET, PHE                       
    REMARK 900   46 REPLACED BY VAL AND ASP 122 REPLACED                            
    REMARK 900   BY ASN (INS(MET 0), F46V, D122N);                                  
    REMARK 900  OTHER_DETAILS: FERRIC                                               
    REMARK 900 RELATED ID: 1MYF   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (FE II, CARBONMONOXY) (NMR, 12                            
    REMARK 900  STRUCTURES)                                                         
    REMARK 900 RELATED ID: 1MYM   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, ASP 122 REPLACED BY ASN, AND PHE 46                            
    REMARK 900   REPLACED BY VAL (INS(M-V1),D122N,F46V)                             
    REMARK 900 RELATED ID: 1MYZ   RELATED DB: PDB                                   
    REMARK 900  CO COMPLEX OF MYOGLOBIN MB-YQR AT RT                                
    REMARK 900  SOLVED FROM LAUE DATA.                                              
    REMARK 900 RELATED ID: 1MZ0   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF MYOGLOBIN MB-YQR 316 NS AFTER                          
    REMARK 900   PHOTOLYSIS OFCARBON MONOXIDE SOLVED FROM                           
    REMARK 900  LAUE DATA AT RT.                                                    
    REMARK 900 RELATED ID: 1N9F   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF EARTH-GROWN OXIDIZED MYOGLOBIN                         
    REMARK 900  MUTANT YQR(ISS6A)                                                   
    REMARK 900 RELATED ID: 1N9H   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF MICROGRAVITY-GROWN OXIDIZED                            
    REMARK 900  MYOGLOBIN MUTANTYQR (ISS6A)                                         
    REMARK 900 RELATED ID: 1N9I   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF EARTH-GROWN OXIDIZED MYOGLOBIN                         
    REMARK 900  MUTANT YQR(ISS8A)                                                   
    REMARK 900 RELATED ID: 1N9X   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF MICROGRAVITY-GROWN OXIDIZED                            
    REMARK 900  MYOGLOBIN MUTANTYQR (ISS8A)                                         
    REMARK 900 RELATED ID: 1NAZ   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF MICROGRAVITY-GROWN OXIDIZED                            
    REMARK 900  MYOGLOBIN MUTANTYQR (ISS8A)                                         
    REMARK 900 RELATED ID: 1O16   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN H64D/V68S/                        
    REMARK 900  D122N MUTANT(MET)                                                   
    REMARK 900 RELATED ID: 1OBM   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN 29F/64Q/                          
    REMARK 900  68F/122N MUTANT (MET)                                               
    REMARK 900 RELATED ID: 1OFJ   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN L29H/H64L/                        
    REMARK 900  D122N MUTANT (WITH INITIATOR MET)                                   
    REMARK 900 RELATED ID: 1OFK   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN F43H, H64L                        
    REMARK 900  MUTANT (MET)                                                        
    REMARK 900 RELATED ID: 1SPE   RELATED DB: PDB                                   
    REMARK 900  SPERM WHALE NATIVE CO MYOGLOBIN AT PH 4.                            
    REMARK 900  0, TEMP 4C                                                          
    REMARK 900 RELATED ID: 1SWM   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (FERRIC) COMPLEXED WITH AZIDE                             
    REMARK 900 RELATED ID: 1TES   RELATED DB: PDB                                   
    REMARK 900  OXYGEN BINDING MUSCLE PROTEIN                                       
    REMARK 900 RELATED ID: 1U7R   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF NATIVE SPERM WHALE                             
    REMARK 900  MYOGLOBIN FROM LOWIONIC STRENGTH ENVIROMENT (                       
    REMARK 900  FORM2 )                                                             
    REMARK 900 RELATED ID: 1U7S   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF NATIVE SPERM WHALE                             
    REMARK 900  MYOGLOBIN FROM LOWIONIC STRENGTH ENVIROMENT (                       
    REMARK 900  FORM 1)                                                             
    REMARK 900 RELATED ID: 1UFJ   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF AN ARTIFICIAL                                  
    REMARK 900  METALLOPROTEIN:FE(III)(3,3'-ME2-SALOPHEN)/                          
    REMARK 900  APO-A71G MYOGLOBIN                                                  
    REMARK 900 RELATED ID: 1UFP   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF AN ARTIFICIAL                                  
    REMARK 900  METALLOPROTEIN:FE(III)(3,3'-ME2-SALOPHEN)/                          
    REMARK 900  APO-WILD TYPE MYOGLOBIN                                             
    REMARK 900 RELATED ID: 1VXA   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXB   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXC   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXD   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXE   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXF   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXG   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1VXH   RELATED DB: PDB                                   
    REMARK 900  NATIVE SPERM WHALE MYOGLOBIN                                        
    REMARK 900 RELATED ID: 1WVP   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF CHEMICALLY MODIFIED MYOGLOBIN                          
    REMARK 900  WITH DISTAL N-TETRAZOLYL-HISTIDINE E7(64)                           
    REMARK 900 RELATED ID: 1YOG   RELATED DB: PDB                                   
    REMARK 900  COBALT MYOGLOBIN (DEOXY)                                            
    REMARK 900 RELATED ID: 1YOH   RELATED DB: PDB                                   
    REMARK 900  COBALT MYOGLOBIN (MET)                                              
    REMARK 900 RELATED ID: 1YOI   RELATED DB: PDB                                   
    REMARK 900  COBALT MYOGLOBIN (OXY)                                              
    REMARK 900 RELATED ID: 2BLH   RELATED DB: PDB                                   
    REMARK 900  LIGAND MIGRATION AND PROTEIN FLUCTUATIONS IN                        
    REMARK 900  MYOGLOBIN MUTANT L29W                                               
    REMARK 900 RELATED ID: 2BLI   RELATED DB: PDB                                   
    REMARK 900  L29W MB DEOXY                                                       
    REMARK 900 RELATED ID: 2BLJ   RELATED DB: PDB                                   
    REMARK 900  STRUCTURE OF L29W MBCO                                              
    REMARK 900 RELATED ID: 2BW9   RELATED DB: PDB                                   
    REMARK 900  LAUE STRUCTURE OF L29W MBCO                                         
    REMARK 900 RELATED ID: 2BWH   RELATED DB: PDB                                   
    REMARK 900  LAUE STRUCTURE OF A SHORT LIVED STATE OF                            
    REMARK 900  L29W MYOGLOBIN                                                      
    REMARK 900 RELATED ID: 2CDJ   RELATED DB: PDB                                   
    REMARK 900  X-RAY STRUCTURE OF OXIDISED RECOMBINANT                             
    REMARK 900  SPERM WHALE MYOGLOBIN UNDER 10ATM OF XENON                          
    REMARK 900 RELATED ID: 2CDK   RELATED DB: PDB                                   
    REMARK 900  X-RAY STRUCTURE OF OXIDISED YQR MUTANT OF                           
    REMARK 900   SPERM WHALE MYOGLOBIN UNDER 10ATM OF XENON                         
    REMARK 900 RELATED ID: 2CDL   RELATED DB: PDB                                   
    REMARK 900  X-RAY STRUCTURE OF OXIDISED YQRF MUTANT OF                          
    REMARK 900   SPERM WHALE MYOGLOBIN UNDER 10ATM OF XENON                         
    REMARK 900 RELATED ID: 2CMM   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CYANO,MET) RECONSTITUTED WITH IRON                       
    REMARK 900   (III) COMPLEXES OF PORPHYRIN                                       
    REMARK 900 RELATED ID: 2D6C   RELATED DB: PDB                                   
    REMARK 900  CRYSTAL STRUCTURE OF MYOGLOBIN RECONSTITUTED                        
    REMARK 900  WITH IRONPORPHYCENE                                                 
    REMARK 900 RELATED ID: 2EVP   RELATED DB: PDB                                   
    REMARK 900  THE STRUCTURES OF THIOLATE- AND CARBOXYLATE-                        
    REMARK 900  LIGATED FERRICH93G MYOGLOBIN: MODELS FOR                            
    REMARK 900  CYTOCHROME P450 AND FOROXYANION-BOUND HEME                          
    REMARK 900  PROTEINS                                                            
    REMARK 900 RELATED ID: 2G0R   RELATED DB: PDB                                   
    REMARK 900  UNPHOTOLYZED CO-BOUND L29F MYOGLOBIN                                
    REMARK 900 RELATED ID: 2G0S   RELATED DB: PDB                                   
    REMARK 900  UNPHOTOLYZED CO-BOUND L29F MYOGLOBIN, CRYSTAL 2                     
    REMARK 900 RELATED ID: 2G0V   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 100PS                                 
    REMARK 900 RELATED ID: 2G0X   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 316PS                                 
    REMARK 900 RELATED ID: 2G0Z   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 1NS                                   
    REMARK 900 RELATED ID: 2G10   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 3.16NS                                
    REMARK 900 RELATED ID: 2G11   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 31.6NS                                
    REMARK 900 RELATED ID: 2G12   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 316NS                                 
    REMARK 900 RELATED ID: 2G14   RELATED DB: PDB                                   
    REMARK 900  PHOTOLYZED CO L29F MYOGLOBIN: 3.16US                                
    REMARK 900 RELATED ID: 2MB5   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXYMYOGLOBIN) (NEUTRON STUDY)                   
    REMARK 900 RELATED ID: 2MBW   RELATED DB: PDB                                   
    REMARK 900  RECOMBINANT SPERM WHALE MYOGLOBIN (MET)                             
    REMARK 900 RELATED ID: 2MGA   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, HIS 64 REPLACED BY GLY, AND ASP 122                            
    REMARK 900   REPLACED BY ASN (MET,H64G,D122N)                                   
    REMARK 900 RELATED ID: 2MGB   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  HIS 64 REPLACED BY GLY, AND ASP 122                                 
    REMARK 900  REPLACED BY ASN (MET,H64G,D122N)                                    
    REMARK 900 RELATED ID: 2MGC   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, HIS 64 REPLACED BY LEU, AND ASP 122                            
    REMARK 900   REPLACED BY ASN (MET,H64L,D122N)                                   
    REMARK 900 RELATED ID: 2MGD   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET,                        
    REMARK 900  ASP 122 REPLACED BY ASN, AND HIS 64                                 
    REMARK 900  REPLACED BY LEU (MET,D122N,H64L)                                    
    REMARK 900 RELATED ID: 2MGE   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  ASP 122 REPLACED BY ASN, AND HIS 64                                 
    REMARK 900  REPLACED BY LEU (MET,D122N,H64L)                                    
    REMARK 900 RELATED ID: 2MGF   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, ASP 122 REPLACED BY ASN, AND HIS 64                            
    REMARK 900   REPLACED BY GLN (MET,D122N,H64Q)                                   
    REMARK 900 RELATED ID: 2MGG   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET                         
    REMARK 900  AND WITH ASP 122 REPLACED BY ASN AND HIS                            
    REMARK 900   64 REPLACED BY GLN (INS(M-V1,D122N, H64Q)                          
    REMARK 900 RELATED ID: 2MGH   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  HIS 64 REPLACED BY GLN, AND ASP 122                                 
    REMARK 900  REPLACED BY ASN (MET,H64Q,D122N)                                    
    REMARK 900 RELATED ID: 2MGI   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  ASP 122 REPLACED BY ASN, AND HIS 64                                 
    REMARK 900  REPLACED BY THR (MET,D122N,H64T)                                    
    REMARK 900 RELATED ID: 2MGJ   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  ASP 122 REPLACED BY ASN, AND HIS 64                                 
    REMARK 900  REPLACED BY VAL (MET,D122N,H64V)                                    
    REMARK 900 RELATED ID: 2MGK   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET AND ASP 122 REPLACED BY ASN (MET, D122N)                        
    REMARK 900 RELATED ID: 2MGL   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY) MUTANT WITH INITIATOR MET                         
    REMARK 900  AND ASP 122 REPLACED BY ASN (MET,D122N)                             
    REMARK 900 RELATED ID: 2MGM   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (OXY) MUTANT WITH INITIATOR MET                           
    REMARK 900  AND ASP 122 REPLACED BY ASN (MET,D122N)                             
    REMARK 900 RELATED ID: 2MYA   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (ETHYL ISOCYANIDE, PH 7.0)                                
    REMARK 900 RELATED ID: 2MYB   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (METHYL ISOCYANIDE, PH 7.0)                               
    REMARK 900 RELATED ID: 2MYC   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (N-BUTYL ISOCYANIDE, PH 7.0)                              
    REMARK 900 RELATED ID: 2MYD   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (N-PROPYL ISOCYANIDE, PH 7.0)                             
    REMARK 900 RELATED ID: 2MYE   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (ETHYL ISOCYANIDE, PH <<7.0)                              
    REMARK 900 RELATED ID: 2SPL   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (CARBONMONOXY) MUTANT WITH INITIATOR                      
    REMARK 900  MET, ASP 122 REPLACED BY ASN, AND LEU 29                            
    REMARK 900   REPLACED BY PHE (MET,D122N,L29F)                                   
    REMARK 900 RELATED ID: 2SPM   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  ASP 122 REPLACED BY ASN, AND LEU 29                                 
    REMARK 900  REPLACED BY PHE (MET,D122N,L29F)                                    
    REMARK 900 RELATED ID: 2SPN   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (OXY) MUTANT WITH INITIATOR MET,                          
    REMARK 900  LEU 29 REPLACED BY PHE, AND ASP 122                                 
    REMARK 900  REPLACED BY ASN (MET,L29F,D122N)                                    
    REMARK 900 RELATED ID: 2SPO   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET) MUTANT WITH INITIATOR MET,                          
    REMARK 900  LEU 29 REPLACED BY VAL, AND ASP 122                                 
    REMARK 900  REPLACED BY ASN (MET,L29V,D122N)                                    
    REMARK 900 RELATED ID: 4MBN   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (MET)                                                     
    REMARK 900 RELATED ID: 5MBN   RELATED DB: PDB                                   
    REMARK 900  MYOGLOBIN (DEOXY)                                                   
    DBREF  2JHO A    0     0  PDB    2JHO     2JHO             0      0             
    DBREF  2JHO A    1   153  UNP    P02185   MYG_PHYCA        1    153             
    SEQRES   1 A  154  MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS          
    SEQRES   2 A  154  VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY          
    SEQRES   3 A  154  GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU          
    SEQRES   4 A  154  THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR          
    SEQRES   5 A  154  GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS          
    SEQRES   6 A  154  GLY VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS          
    SEQRES   7 A  154  LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA          
    SEQRES   8 A  154  GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR          
    SEQRES   9 A  154  LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS          
    SEQRES  10 A  154  SER ARG HIS PRO GLY ASP PHE GLY ALA ASP ALA GLN GLY          
    SEQRES  11 A  154  ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE          
    SEQRES  12 A  154  ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY                  
    HET    HEM  A1154      43                                                       
    HET    CYN  A1155       2                                                       
    HET    SO4  A1156       5                                                       
    HET     ZN  A1157       1                                                       
    HET     ZN  A1158       1                                                       
    HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
    HETNAM     SO4 SULFATE ION                                                      
    HETNAM      ZN ZINC ION                                                         
    HETNAM     CYN CYANIDE ION                                                      
    HETSYN     HEM [DIHYDROGEN 3,7,12,17-TETRAMETHYL-8,13-                          
    HETSYN   2 HEM  DIVINYL-2,18-PORPHINEDIPROPIONATO(2-)]IRON                      
    FORMUL   2  HEM    C34 H32 FE N4 O4                                             
    FORMUL   3  SO4    O4 S 2-                                                      
    FORMUL   4   ZN    2(ZN 2+)                                                     
    FORMUL   5  CYN    C N 1-                                                       
    FORMUL   6  HOH   *188(H2 O1)                                                   
    HELIX    1   1 SER A    3  GLU A   18  1                                  16    
    HELIX    2   2 ASP A   20  HIS A   36  1                                  17    
    HELIX    3   3 HIS A   36  LYS A   42  1                                   7    
    HELIX    4   4 THR A   51  ALA A   57  1                                   7    
    HELIX    5   5 SER A   58  LYS A   77  1                                  20    
    HELIX    6   6 HIS A   82  LYS A   96  1                                  15    
    HELIX    7   7 PRO A  100  HIS A  119  1                                  20    
    HELIX    8   8 GLY A  124  LEU A  149  1                                  26    
    LINK        FE   HEM A1154                 NE2 HIS A  93     1555   1555  2.08  
    LINK        FE   HEM A1154                 C   CYN A1155     1555   1555  1.92  
    LINK        ZN    ZN A1157                 O   HOH A2186     1555   1555  1.63  
    LINK        ZN    ZN A1157                 O   HOH A2184     1555   1555  2.39  
    LINK        ZN    ZN A1157                 O   HOH A2185     1555   1555  2.46  
    LINK        ZN    ZN A1157                 ND1 HIS A  36     1555   1555  1.96  
    LINK        ZN    ZN A1158                 NE2 HIS A  36     1555   1555  1.94  
    SITE     1 AC1 22 THR A  39  LYS A  42  PHE A  43  ARG A  45                    
    SITE     2 AC1 22 LEU A  89  SER A  92  HIS A  93  HIS A  97                    
    SITE     3 AC1 22 ILE A  99  TYR A 103  LEU A 104  HIS A 116                    
    SITE     4 AC1 22 GLN A 128  PHE A 138  CYN A1155  HOH A2173                    
    SITE     5 AC1 22 HOH A2174  HOH A2175  HOH A2176  HOH A2177                    
    SITE     6 AC1 22 HOH A2178  HOH A2179                                          
    SITE     1 AC2  4 PHE A  43  HIS A  64  VAL A  68  HEM A1154                    
    SITE     1 AC3  8 ALA A  57  SER A  58  GLU A  59  ASP A  60                    
    SITE     2 AC3  8 HOH A2180  HOH A2181  HOH A2182  HOH A2183                    
    SITE     1 AC4  7 GLN A   8  SER A  35  HIS A  36  GLU A  38                    
    SITE     2 AC4  7 HOH A2184  HOH A2185  HOH A2186                               
    SITE     1 AC5  3 HIS A  36  HOH A2187  HOH A2188                               
    CRYST1   34.409   29.786   63.633  90.00 104.93  90.00 P 1 21 1      2          
    ORIGX1      1.000000  0.000000  0.000000        0.00000                         
    ORIGX2      0.000000  1.000000  0.000000        0.00000                         
    ORIGX3      0.000000  0.000000  1.000000        0.00000                         
    SCALE1      0.029062  0.000000  0.007749        0.00000                         
    SCALE2      0.000000  0.033573  0.000000        0.00000                         
    SCALE3      0.000000  0.000000  0.016264        0.00000                         

    3D molecular view of vibration

    Displacement vectors
    Display
    Animation
    Display

    Still image of displacement vectors and GIF animation


    Mode 1

    Time-average properties and properties of the 10 lowest-frequency modes

    Fluctuation of atoms:
    Time average and for the 3 lowest-frequency modes.
    Fluctuation of dihedral angles:
    Time average and for the 3 lowest-frequency modes.
    Fluctuation of atomsFluctuation of dihedral angles

    Correlations between fluctuations of atoms

    Mode 1
    Correlations between fluctuations of atoms - Mode 1
    Time Average
    Time Average
    Distance map
    Distance map

    Calculation note

    PDB file name : pdb2jho.ent

    Chains and HETATMs selected: 
      ATOM        A

    = Normal mode analysis calculation =

    No. of modes used in the calculation : All modes.

    Parameters of potential energies:
      1-4 and 1-5 non-bonded interactions: E(d) = A*exp(-d(PDB)**2/B**2)(d-d(PDB))**2.
      Loop-closing potential:              E(d) = A*(d-d(PDB))**2.
        for a disulfide bond and one of the bonds in the DNA and RNA sugar ring.
      where d and d(PDB) are distances between atoms in calculation and in PDB data, 
      respectively.

      Interaction type   A       B      Cutoff distance (A)
        1-4             1.00    5.00      100.00
        1-5             1.00    5.00      100.00
        Loop-closing  100.00

    Temperature adjustment by magnitude of fluctuation:
      Set to mean displacements of atoms       0.500 A

    Animation
      No. of frames: 11
      Mean displacements (A):    0.50

    Displacement vector
      Mean length of vectors (A):    3.00