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- PDB-3p4s: Crystal structure of Menaquinol:fumarate oxidoreductase in comple... -

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Basic information

Entry
Database: PDB / ID: 3p4s
TitleCrystal structure of Menaquinol:fumarate oxidoreductase in complex with a 3-nitropropionate adduct
Components(Fumarate reductase ...) x 4
KeywordsOXIDOREDUCTASE
Function / homology
Function and homology information


: / fumarate reductase complex / fermentation / succinate dehydrogenase activity / fumarate metabolic process / succinate dehydrogenase (quinone) activity / succinate dehydrogenase / anaerobic electron transport chain / anaerobic respiration / 3 iron, 4 sulfur cluster binding ...: / fumarate reductase complex / fermentation / succinate dehydrogenase activity / fumarate metabolic process / succinate dehydrogenase (quinone) activity / succinate dehydrogenase / anaerobic electron transport chain / anaerobic respiration / 3 iron, 4 sulfur cluster binding / iron-sulfur cluster binding / bacterial-type flagellum assembly / membrane => GO:0016020 / tricarboxylic acid cycle / FAD binding / electron transport chain / 2 iron, 2 sulfur cluster binding / flavin adenine dinucleotide binding / 4 iron, 4 sulfur cluster binding / electron transfer activity / DNA damage response / metal ion binding / membrane / plasma membrane / cytosol
Similarity search - Function
Fumarate reductase, subunit C / Fumarate reductase subunit C / Fumarate reductase, subunit D / Fumarate reductase subunit D / Fumarate reductase, flavoprotein subunit / 4Fe-4S dicluster domain / succinate dehydrogenase protein domain / Fumarate reductase/succinate dehydrogenase, transmembrane subunit / 4Fe-4S dicluster domain / Fumarate reductase/succinate dehydrogenase flavoprotein-like, C-terminal domain ...Fumarate reductase, subunit C / Fumarate reductase subunit C / Fumarate reductase, subunit D / Fumarate reductase subunit D / Fumarate reductase, flavoprotein subunit / 4Fe-4S dicluster domain / succinate dehydrogenase protein domain / Fumarate reductase/succinate dehydrogenase, transmembrane subunit / 4Fe-4S dicluster domain / Fumarate reductase/succinate dehydrogenase flavoprotein-like, C-terminal domain / Alpha-helical ferredoxin / Fumarate Reductase Iron-sulfur Protein; Chain B, domain 2 / Succinate dehydrogenase/fumarate reductase, flavoprotein subunit / Fumarate reductase/succinate dehydrogenase, FAD-binding site / Fumarate reductase / succinate dehydrogenase FAD-binding site. / 3 helical TM bundles of succinate and fumarate reductases / Fumarate reductase/succinate dehydrogenase, transmembrane subunit / Succinate dehydrogenase/fumarate reductase iron-sulphur protein / FAD-dependent oxidoreductase SdhA/FrdA/AprA / Succinate dehydogenase/fumarate reductase N-terminal / 2Fe-2S iron-sulfur cluster binding domain / Fumarate reductase/succinate dehydrogenase flavoprotein-like, C-terminal / Fumarate reductase flavoprotein C-term / Flavocytochrome C3; Chain A, domain 1 / Succinate dehydrogenase/fumarate reductase flavoprotein, catalytic domain / Fumarate reductase/succinate dehydrogenase flavoprotein-like, C-terminal domain superfamily / Succinate dehydrogenase/fumarate reductase flavoprotein, catalytic domain superfamily / FAD-dependent oxidoreductase 2, FAD binding domain / Rhinovirus 14, subunit 4 / FAD binding domain / Alpha-helical ferredoxin / 2Fe-2S ferredoxin, iron-sulphur binding site / 2Fe-2S ferredoxin-type iron-sulfur binding region signature. / Beta-grasp domain / Beta-grasp domain superfamily / FAD/NAD(P)-binding domain / 2Fe-2S ferredoxin-type iron-sulfur binding domain profile. / 2Fe-2S ferredoxin-type iron-sulfur binding domain / FAD/NAD(P)-binding domain / 2Fe-2S ferredoxin-like superfamily / 4Fe-4S ferredoxin, iron-sulphur binding, conserved site / 4Fe-4S ferredoxin-type iron-sulfur binding region signature. / 4Fe-4S ferredoxin-type iron-sulfur binding domain profile. / 4Fe-4S ferredoxin-type, iron-sulphur binding domain / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / 3-Layer(bba) Sandwich / FAD/NAD(P)-binding domain superfamily / Few Secondary Structures / Irregular / Ubiquitin-like (UB roll) / Roll / Alpha-Beta Complex / Up-down Bundle / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
3-NITROPROPANOIC ACID / FE3-S4 CLUSTER / FLAVIN-ADENINE DINUCLEOTIDE / FE2/S2 (INORGANIC) CLUSTER / IRON/SULFUR CLUSTER / Fumarate reductase subunit D / Succinate dehydrogenase iron-sulfur subunit / Fumarate reductase flavoprotein subunit / Fumarate reductase subunit C / Fumarate reductase flavoprotein subunit ...3-NITROPROPANOIC ACID / FE3-S4 CLUSTER / FLAVIN-ADENINE DINUCLEOTIDE / FE2/S2 (INORGANIC) CLUSTER / IRON/SULFUR CLUSTER / Fumarate reductase subunit D / Succinate dehydrogenase iron-sulfur subunit / Fumarate reductase flavoprotein subunit / Fumarate reductase subunit C / Fumarate reductase flavoprotein subunit / Fumarate reductase subunit C / Fumarate reductase subunit D / Fumarate reductase iron-sulfur subunit
Similarity search - Component
Biological speciesEscherichia coli 042 (bacteria)
Escherichia coli O55:H7 str. CB9615 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3.1 Å
AuthorsTomasiak, T.M. / Archuleta, T.L. / Andrell, J. / Luna-Chavez, C. / Davis, T.A. / Sarwar, M. / Ham, A.J. / McDonald, W.H. / Yankowskaya, V. / Stern, H.A. ...Tomasiak, T.M. / Archuleta, T.L. / Andrell, J. / Luna-Chavez, C. / Davis, T.A. / Sarwar, M. / Ham, A.J. / McDonald, W.H. / Yankowskaya, V. / Stern, H.A. / Johnston, J.N. / Maklashina, E. / Cecchini, G. / Iverson, T.M.
CitationJournal: J.Biol.Chem. / Year: 2011
Title: Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
Authors: Tomasiak, T.M. / Archuleta, T.L. / Andrell, J. / Luna-Chavez, C. / Davis, T.A. / Sarwar, M. / Ham, A.J. / McDonald, W.H. / Yankovskaya, V. / Stern, H.A. / Johnston, J.N. / Maklashina, E. / ...Authors: Tomasiak, T.M. / Archuleta, T.L. / Andrell, J. / Luna-Chavez, C. / Davis, T.A. / Sarwar, M. / Ham, A.J. / McDonald, W.H. / Yankovskaya, V. / Stern, H.A. / Johnston, J.N. / Maklashina, E. / Cecchini, G. / Iverson, T.M.
History
DepositionOct 7, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 8, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Fumarate reductase flavoprotein subunit
B: Fumarate reductase iron-sulfur subunit
C: Fumarate reductase subunit C
D: Fumarate reductase subunit D
M: Fumarate reductase flavoprotein subunit
N: Fumarate reductase iron-sulfur subunit
O: Fumarate reductase subunit C
P: Fumarate reductase subunit D
hetero molecules


Theoretical massNumber of molelcules
Total (without water)240,37117
Polymers237,0348
Non-polymers3,3379
Water00
1
A: Fumarate reductase flavoprotein subunit
B: Fumarate reductase iron-sulfur subunit
C: Fumarate reductase subunit C
D: Fumarate reductase subunit D
hetero molecules


Theoretical massNumber of molelcules
Total (without water)120,2459
Polymers118,5174
Non-polymers1,7285
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area17180 Å2
ΔGint-151 kcal/mol
Surface area41420 Å2
MethodPISA
2
M: Fumarate reductase flavoprotein subunit
N: Fumarate reductase iron-sulfur subunit
O: Fumarate reductase subunit C
P: Fumarate reductase subunit D
hetero molecules


Theoretical massNumber of molelcules
Total (without water)120,1268
Polymers118,5174
Non-polymers1,6094
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area17010 Å2
ΔGint-151 kcal/mol
Surface area42760 Å2
MethodPISA
Unit cell
Length a, b, c (Å)98.065, 139.006, 276.476
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Fumarate reductase ... , 4 types, 8 molecules AMBNCODP

#1: Protein Fumarate reductase flavoprotein subunit


Mass: 63477.707 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli 042 (bacteria) / Strain: 042/EAEC / Gene: EC042_4630, frdA, SDY_4398 / Production host: Escherichia coli (E. coli) / References: UniProt: D3GV56, UniProt: P00363*PLUS
#2: Protein Fumarate reductase iron-sulfur subunit


Mass: 27021.885 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli 042 (bacteria) / Strain: 042/EAEC / Gene: frdB, EC042_4629 / Production host: Escherichia coli (E. coli) / References: UniProt: D3GV55, UniProt: P0AC47*PLUS
#3: Protein Fumarate reductase subunit C


Mass: 14898.773 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli O55:H7 str. CB9615 (bacteria)
Strain: CB9615/EPEC / Gene: frdC, G2583_4981 / Production host: Escherichia coli (E. coli) / References: UniProt: D3QL74, UniProt: P0A8Q0*PLUS
#4: Protein Fumarate reductase subunit D


Mass: 13118.870 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli 042 (bacteria) / Strain: 042/EAEC / Gene: frdD, EC042_4627 / Production host: Escherichia coli (E. coli) / References: UniProt: D3GV53, UniProt: P0A8Q3*PLUS

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Non-polymers , 5 types, 9 molecules

#5: Chemical ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE


Mass: 785.550 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C27H33N9O15P2 / Comment: FAD*YM
#6: Chemical ChemComp-3NP / 3-NITROPROPANOIC ACID


Mass: 119.076 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H5NO4
#7: Chemical ChemComp-FES / FE2/S2 (INORGANIC) CLUSTER


Mass: 175.820 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe2S2
#8: Chemical ChemComp-F3S / FE3-S4 CLUSTER


Mass: 295.795 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe3S4
#9: Chemical ChemComp-SF4 / IRON/SULFUR CLUSTER


Mass: 351.640 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe4S4

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.97 Å3/Da / Density % sol: 69.06 %
Crystal growTemperature: 298 K / Method: vapor diffusion / pH: 5.8
Details: 10% PEG 5000 mme, 250mM MgAc, 100mM Citrate pH 5.8, 0.1% w/v DTT, 0.1mM EDTA, VAPOR DIFFUSION, temperature 298K

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Data collection

Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID13 / Wavelength: 1 Å
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.1→40 Å / Num. obs: 64420

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Processing

Software
NameVersionClassificationNB
REFMAC5.5.0109refinement
PDB_EXTRACT3.1data extraction
RefinementResolution: 3.1→40 Å / Cor.coef. Fo:Fc: 0.897 / Cor.coef. Fo:Fc free: 0.888 / Occupancy max: 1 / Occupancy min: 1 / SU B: 49.281 / SU ML: 0.41 / Details: HYDROGENS HAVE BEEN ADDED IN THE
RfactorNum. reflection% reflection
Rfree0.279 1181 1.8 %
Rwork0.255 --
obs0.255 64420 93.5 %
Solvent computationSolvent model: MASK
Displacement parametersBiso mean: 93.24 Å2
Baniso -1Baniso -2Baniso -3
1--0.1 Å20 Å20 Å2
2---1.62 Å20 Å2
3---1.72 Å2
Refinement stepCycle: LAST / Resolution: 3.1→40 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16642 0 150 0 16792
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0070.02217223
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.6511.96623442
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.75252130
X-RAY DIFFRACTIONr_dihedral_angle_2_deg30.94223.548747
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.247152807
X-RAY DIFFRACTIONr_dihedral_angle_4_deg14.54115109
X-RAY DIFFRACTIONr_chiral_restr0.0650.22562
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.02113057
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.1331.510608
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.261217044
X-RAY DIFFRACTIONr_scbond_it0.38836615
X-RAY DIFFRACTIONr_scangle_it0.684.56316
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 3.1→3.18 Å
RfactorNum. reflection% reflection
Rfree0.303 45 -
Rwork0.314 3974 -
obs--80.83 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.78980.2702-0.22041.31210.13622.044-0.1042-0.0353-0.0864-0.05340.0818-0.06370.21340.02160.02240.03010.01180.00930.1542-0.04190.037115.813521.0157-11.8251
23.41661.0488-0.30096.10980.03372.62140.3007-0.10850.655-0.3165-0.0119-0.2357-0.54530.3304-0.28880.2552-0.05180.1670.233-0.07190.375713.041350.5774-17.2038
310.3543-3.79510.65133.6407-2.6912.755-0.03660.1953-0.13940.0011-0.3317-0.4411-0.12380.43330.36830.8086-0.26950.44730.6793-0.44590.825422.071442.8121-31.0132
41.50470.0485-0.45992.23280.39091.5073-0.0502-0.16330.0427-0.01060.02950.12430.0493-0.19830.02070.0086-0.02440.0120.2291-0.02290.05560.604726.7553-9.7571
52.1894-0.89471.31761.92111.32783.819-0.3394-0.59140.31940.46150.05360.1325-0.115-0.22350.28580.2774-0.02680.13560.4159-0.15970.20175.216234.42027.7509
63.1578-0.6002-1.155128.99921.82375.2152-0.04530.43490.1864-0.67910.21280.83150.0089-0.6604-0.16750.0421-0.0751-0.05910.6988-0.05810.1731-9.746423.4559-40.2673
72.1485-0.6038-1.06262.0571-0.00422.55790.00220.29250.0603-0.40360.06760.12490.0823-0.399-0.06980.088-0.0541-0.02630.3496-0.02620.02190.270926.2434-36.2837
866.4334-7.60463.68342.91644.40111.57850.0067-1.12030.0027-0.43360.0916-0.0515-0.98-0.1724-0.09830.4014-0.14310.11250.12280.01280.164815.23249.25-32.4715
92.9039-0.1141.06181.08820.43432.8899-0.0944-0.12840.0765-0.3545-0.0124-0.29370.3290.22850.10680.24780.04170.15670.1699-0.03740.130627.220417.8348-30.5246
105.6323-0.94426.79550.1739-1.239913.37420.2370.079-0.1898-0.0923-0.0547-0.02780.90260.1552-0.18230.25060.03750.23850.23390.04630.352329.213812.7539-33.3248
117.4685-1.4924-2.81760.79080.86061.96990.1090.25210.4276-0.27660.07-0.41910.18480.0755-0.17890.3337-0.01860.27420.1249-0.03910.296826.311514.8146-43.855
1210.778227.3729-18.4180.7037-58.089242.95270.1392-0.4429-2.2447-3.34122.05010.15863.746-2.3953-2.18933.2289-0.2012-1.87931.88311.62593.715344.3961-0.9558-41.473
139.3566.6901-9.49545.1186-6.73714.756-0.27231.14581.0712-0.40970.86810.99071.2934-1.0238-0.59570.379-0.1129-0.04160.46790.00710.40292.27669.8573-46.7208
146.26950.0115-7.46571.80891.391710.3820.07810.2929-0.201-0.6422-0.29090.064-0.4589-0.40880.21280.4660.0450.06770.3297-0.0650.123228.922914.7976-73.1656
153.0666-0.04360.5840.9509-1.00331.8778-0.0390.01850.2523-0.3596-0.13720.01050.5684-0.31040.17620.4276-0.03360.20990.3142-0.06050.185129.231322.7927-66.5141
161.42135.9253-4.0425.7877-17.46111.83650.0331-0.1370.08870.82550.0206-0.0323-0.50090.0374-0.05370.68660.13470.15760.7939-0.29840.703435.977432.1591-41.3083
170.96861.9004-0.39415.1268-1.30920.36660.1756-0.11360.22490.2621-0.2605-0.0286-0.05180.07480.08480.4622-0.05230.23280.2703-0.10540.329840.899929.9876-64.4293
1843.7269-41.908125.580140.1683-24.516314.9645-0.56971.48383.25880.5763-1.3568-3.1428-0.36240.86821.92650.6832-0.20090.43510.5999-0.17690.838948.281429.5554-79.8045
190.55481.4585-3.25728.8655-7.621919.3033-0.09330.03910.058-0.19710.20421.57760.5412-0.1882-0.11090.6317-0.10190.11520.5472-0.21090.72221.2281-1.3191-35.8408
200.37650.0884-1.29450.8641-2.614211.09460.11850.1073-0.0575-0.3540.08450.09760.4167-0.2834-0.2030.5323-0.08470.16120.2699-0.00270.210935.153217.0593-66.7209
213.3815-1.5212-0.440312.6396-4.47266.8891-0.35730.6316-0.4536-0.0033-0.2934-0.9049-0.64360.86720.65070.5997-0.10170.37470.4132-0.02540.450948.443416.4719-81.3819
2215.38860.8114-3.10511.11860.88821.76570.022-0.3337-0.3975-0.1692-0.1384-0.08910.0258-0.12660.11640.4355-0.02310.1980.2202-0.04280.116429.36259.8277-63.6267
2317.56628.5205-9.14836.5858-5.38489.2377-0.334-0.8385-1.38190.1449-0.4417-0.1037-0.31360.03130.77560.5190.00490.22510.1493-0.0240.383826.94190.0794-63.7042
2437.836416.6544-6.07219.7187-1.93041.0199-0.18572.0830.137-1.52140.2885-1.1078-0.0411-0.3729-0.10280.70940.11040.23750.34060.03060.335743.69682.9339-75.3481
250.17030.2970.18061.04050.10040.47110.0418-0.03820.06990.16030.11750.4791-0.1648-0.4496-0.15931.1012-0.0470.62180.80830.00691.39926.0158-39.6128-25.1938
263.8658-5.69352.1529.9056-3.02091.2139-0.10710.24110.51030.1426-0.0832-1.3294-0.05230.13490.19031.2189-0.10830.63271.02330.24051.73415.989-51.4271-40.5038
274.02885.3084-2.11513.01462.82656.52490.34390.24150.73271.45760.09991.4440.6569-0.4648-0.44381.0788-0.22430.84580.50520.20961.811112.762-41.5527-33.89
280.9971-0.11670.59370.0426-0.13960.56370.1744-0.37010.15460.057-0.05310.1074-0.1534-0.0107-0.12131.6361-0.07760.67760.8513-0.08261.298616.7167-36.2721-10.9398
290.2572-2.38030.307324.4602-2.505924.45550.01460.0772-0.03410.46350.09961.94510.1511-1.7683-0.11420.8443-0.08380.64490.60120.43921.204521.382-59.0031-30.1373
308.8837-0.64080.38726.7845-2.12387.8009-0.14690.3663-0.06990.17410.29020.4641-0.2153-0.6209-0.14320.6359-0.1420.2790.36240.06840.725819.8578-70.0269-29.8291
3114.10420.080611.22414.0053-0.140219.5439-0.35131.12430.4193-0.3160.32040.6948-0.4254-0.52850.03080.8081-0.19220.2930.56150.1410.823127.4463-55.7893-40.5591
320.1276-0.0766-0.06310.1858-0.0010.11260.0019-0.18710.22980.439-0.0256-0.1-0.08940.06180.02371.612-0.13140.4981.0183-0.0311.172817.3566-44.4567-8.6715
334.7435-0.5905-0.29920.1253-0.10461.36850.2619-0.9375-0.05540.1497-0.0301-0.0011-0.6981-0.0147-0.23181.5653-0.13780.32460.90430.1550.791116.7588-53.1389-7.1654
342.7457-0.1829-2.04676.51661.55133.3933-0.0042-0.4143-0.01580.36210.06560.28880.01940.1104-0.06140.86170.02540.44770.92140.09190.9612.3432-58.1574-6.2257
350.12650.00780.00720.1244-0.08690.0714-0.1361-0.0708-0.35330.40840.0777-0.1399-0.33980.02690.05851.9233-0.0940.13690.9023-0.00981.187346.1834-42.3656-17.4464
362.55530.7375-0.08751.3464-0.40161.52660.0652-0.45580.10081.1259-0.1648-0.18650.00710.27530.09961.5427-0.0010.23660.38140.05170.605939.3001-37.574-26.2439
3710.51465.71361.53317.2119-0.45365.796-1.06850.2340.0230.95230.68761.2885-0.29110.42040.38090.7496-0.07680.57610.471-0.13980.722419.048-23.6796-34.3003
383.2064-2.4583-0.06952.59511.13472.0829-0.0004-0.0306-0.5980.0097-0.13110.8157-0.1187-0.65930.13140.9545-0.11460.55220.51630.22560.90719.1812-33.0534-41.1665
3928.53896.56376.53326.38370.12196.2165-1.10820.482-0.3336-0.41090.90590.5148-1.6916-0.55930.20231.02490.04850.34320.26020.00440.664725.7008-25.2135-40.455
4013.56723.49093.89664.6624-3.90577.548-1.14410.2457-1.22390.40151.3861-0.3211-1.3296-1.6178-0.2420.82020.13890.37250.864-0.00451.417616.3622-21.1862-43.4849
414.2643-4.2612.84326.9597-2.83098.0154-0.25480.23520.11830.19850.24040.8891-0.0654-0.2940.01440.5406-0.13140.39670.15020.10730.726528.8858-22.7806-48.0653
424.1948-0.7169-3.79260.4482-0.65338.64770.60290.24420.38020.01260.150.0106-1.01-0.9562-0.75291.41-0.22680.44580.6302-0.00970.826842.7091-20.9134-20.2362
431.03570.9732-3.14694.8931-6.682318.44370.1416-0.1853-0.00870.3395-0.3757-0.1363-0.31910.99460.23410.35650.00920.24470.191-0.03410.402651.8641-21.3245-57.6492
440.6937-0.8939-0.19632.8295-0.82825.1247-0.05240.02420.1348-0.2234-0.0743-0.06690.32320.25910.12670.3733-0.01220.24470.0981-0.01550.272453.8634-25.374-66.2886
452.266-2.1077-3.01511.98322.83894.16640.0412-0.52480.07960.09280.3982-0.03070.24640.4895-0.43931.3092-0.27170.06530.76280.28481.710424.236-39.0477-56.91
461.4901-1.8025-0.00353.33980.62340.33690.39930.3403-0.5390.0063-0.27190.39890.29440.0213-0.12740.8177-0.11950.12230.4754-0.10340.744740.9029-34.216-72.947
4771.015342.635224.529926.26637.227693.7657-0.04841.55431.2703-0.19651.0120.95231.9865-0.9619-0.96360.8262-0.02780.17710.7182-0.14890.550448.2954-30.1614-86.4208
481.8034-5.1457-7.497915.287722.156932.14350.4367-0.16730.039-0.6367-0.1697-0.1879-1.1012-0.2214-0.2671.1244-0.08490.23841.41040.04641.061924.6642-11.7065-34.8064
497.5444-1.9403-5.45772.86240.01784.80790.1285-0.11810.3853-0.05370.15880.0417-0.01580.1107-0.28720.4351-0.05030.25850.342-0.01410.443543.3918-21.7722-64.5932
507.07093.37913.12077.6767-2.14363.5635-0.67890.40110.2083-0.94240.63890.18160.1036-0.04190.040.7860.06410.2430.51620.06260.380850.9564-19.9817-85.6635
512.390.35352.31193.2847-0.97835.95290.1949-0.1549-0.00350.02930.16840.0175-0.1047-0.2906-0.36340.41020.01490.350.2035-0.00820.515244.6361-15.9468-60.0107
522.89810.0136-5.37525.63048.802123.82880.3256-0.0963-0.06780.4707-0.3048-0.08040.157-0.3562-0.02070.46040.00520.30620.31680.05560.454445.3802-6.7961-55.5269
532.6986-2.87439.8369.6354-11.711136.09190.15180.6205-0.066-1.40340.1530.0810.75882.108-0.30480.6345-0.00640.15750.51710.00210.406246.219-6.8408-76.4099
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A0 - 228
2X-RAY DIFFRACTION2A229 - 316
3X-RAY DIFFRACTION3A317 - 336
4X-RAY DIFFRACTION4A337 - 536
5X-RAY DIFFRACTION5A537 - 576
6X-RAY DIFFRACTION6B1 - 27
7X-RAY DIFFRACTION7B28 - 105
8X-RAY DIFFRACTION8B106 - 115
9X-RAY DIFFRACTION9B116 - 165
10X-RAY DIFFRACTION10B166 - 192
11X-RAY DIFFRACTION11B193 - 236
12X-RAY DIFFRACTION12B237 - 243
13X-RAY DIFFRACTION13C1 - 18
14X-RAY DIFFRACTION14C19 - 60
15X-RAY DIFFRACTION15C61 - 98
16X-RAY DIFFRACTION16C99 - 107
17X-RAY DIFFRACTION17C108 - 126
18X-RAY DIFFRACTION18C127 - 130
19X-RAY DIFFRACTION19D0 - 5
20X-RAY DIFFRACTION20D6 - 46
21X-RAY DIFFRACTION21D47 - 64
22X-RAY DIFFRACTION22D65 - 91
23X-RAY DIFFRACTION23D92 - 108
24X-RAY DIFFRACTION24D109 - 118
25X-RAY DIFFRACTION25M0 - 105
26X-RAY DIFFRACTION26M106 - 120
27X-RAY DIFFRACTION27M121 - 143
28X-RAY DIFFRACTION28M144 - 230
29X-RAY DIFFRACTION29M231 - 254
30X-RAY DIFFRACTION30M255 - 317
31X-RAY DIFFRACTION31M318 - 347
32X-RAY DIFFRACTION32M348 - 500
33X-RAY DIFFRACTION33M501 - 534
34X-RAY DIFFRACTION34M535 - 576
35X-RAY DIFFRACTION35N1 - 50
36X-RAY DIFFRACTION36N51 - 108
37X-RAY DIFFRACTION37N109 - 123
38X-RAY DIFFRACTION38N124 - 162
39X-RAY DIFFRACTION39N163 - 183
40X-RAY DIFFRACTION40N184 - 195
41X-RAY DIFFRACTION41N196 - 243
42X-RAY DIFFRACTION42O1 - 12
43X-RAY DIFFRACTION43O13 - 53
44X-RAY DIFFRACTION44O54 - 92
45X-RAY DIFFRACTION45O93 - 108
46X-RAY DIFFRACTION46O109 - 126
47X-RAY DIFFRACTION47O127 - 130
48X-RAY DIFFRACTION48P0 - 5
49X-RAY DIFFRACTION49P6 - 43
50X-RAY DIFFRACTION50P44 - 62
51X-RAY DIFFRACTION51P63 - 91
52X-RAY DIFFRACTION52P92 - 109
53X-RAY DIFFRACTION53P110 - 118

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