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- PDB-1ihv: SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, ... -
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Basic information
Entry | Database: PDB / ID: 1ihv | ||||||
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Title | SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, MINIMIZED AVERAGE STRUCTURE | ||||||
![]() | HIV-1 INTEGRASE | ||||||
![]() | DNA BINDING PROTEIN / DNA-BINDING PROTEIN / AIDS / POLYPROTEIN | ||||||
Function / homology | ![]() nucleotidyltransferase activity / DNA integration / viral genome integration into host DNA / establishment of integrated proviral latency / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / symbiont-mediated suppression of host gene expression / endonuclease activity / DNA recombination / Hydrolases; Acting on ester bonds / symbiont entry into host cell ...nucleotidyltransferase activity / DNA integration / viral genome integration into host DNA / establishment of integrated proviral latency / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / symbiont-mediated suppression of host gene expression / endonuclease activity / DNA recombination / Hydrolases; Acting on ester bonds / symbiont entry into host cell / lipid binding / DNA binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR | ||||||
![]() | Clore, G.M. / Lodi, P.J. / Ernst, J.A. / Gronenborn, A.M. | ||||||
![]() | ![]() Title: Solution structure of the DNA binding domain of HIV-1 integrase. Authors: Lodi, P.J. / Ernst, J.A. / Kuszewski, J. / Hickman, A.B. / Engelman, A. / Craigie, R. / Clore, G.M. / Gronenborn, A.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 48.4 KB | Display | ![]() |
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PDB format | ![]() | 36 KB | Display | ![]() |
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-Validation report
Summary document | ![]() | 244.5 KB | Display | ![]() |
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Full document | ![]() | 244.3 KB | Display | |
Data in XML | ![]() | 3.1 KB | Display | |
Data in CIF | ![]() | 4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 6139.186 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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Sample preparation
Crystal grow | *PLUS Method: other / Details: NMR |
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Processing
Software |
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NMR software | Name: ![]() | ||||||||||||
Refinement | Software ordinal: 1 Details: THE STRUCTURES WERE CALCULATED USING THE SIMULATED ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, 129 - 136 USING THE PROGRAM XPLOR 3.1 (BRUNGER) MODIFIED TO INCORPORATE COUPLING ...Details: THE STRUCTURES WERE CALCULATED USING THE SIMULATED ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, 129 - 136 USING THE PROGRAM XPLOR 3.1 (BRUNGER) MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. (1984) J. MAGN RESON. SERIES B 104, 99 - 103), CARBON CHEMICAL SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. SERIES B 106, 92 - 96) AND 1H CHEMICAL SHIFT (KUSZEWSKI ET AL., 1995 J. MAGN RESON. SERIES B IN PRESS) RESTRAINTS. THE 3D STRUCTURE OF HIV-1 INTEGRASE SOLVED BY MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR IS BASED ON 2386 EXPERIMENTAL RESTRAINTS (FOR THE DIMER): (A) INTRASUBUNIT: 332 SEQUENTIAL (|I-J|=1), 202 MEDIUM RANGE (1 < |I-J| >=5) AND 530 LONG RANGE (|I-J| >5) INTERRESIDUES 318 INTRARESIDUE APPROXIMATE INTERPROTON DISTANCE RESTRAINTS; 74 DISTANCE RESTRAINTS FOR 37 HYDROGEN BONDS; 192 TORSION ANGLE (98 PHI, 20 PSI, 50 CHI1 AND 24 CHI2) RESTRAINTS; 78 THREE-BOND HN-HA COUPLING CONSTANT RESTRAINTS; 194 (100 CALPHA AND 94 CBETA) 13C SHIFT RESTRAINTS; AND 392 1H CHEMICAL SHIFT RESTRAINTS (102 CAH, 52 METHYL AND 238 OTHERS). (B) 44 INTERSUBUNIT INTERPROTON DISTANCE RESTRAINTS (C) 30 AMBIGUOUS INTERPROTON DISTANCE RESTRAINTS THAT CAN ARISE FROM INTRA AND/OR INTERSUBUNIT INTERACTIONS. THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED MEAN STRUCTURE AND THE LAST COLUMN REPRESENTS THE RMS OF THE 40 INDIVIDUAL SIMULATED ANNEALING STRUCTURES FOUND IN PDB ENTRY 1IHW ABOUT THE MEAN COORDINATE POSITIONS. THE LAST COLUMN IN THE INDIVIDUAL SA STRUCTURES HAS NO MEANING. | ||||||||||||
NMR ensemble | Conformer selection criteria: REGULARIZED MEAN STRUCTURE / Conformers submitted total number: 1 |