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- PDB-7nxa: Crystal structure of the receptor binding domain of SARS-CoV-2 B.... -

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Basic information

Entry
Database: PDB / ID: 7nxa
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
Components
  • (COVOX-222 Fab ...) x 2
  • EY6A Fab heavy chain
  • EY6A Fab light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / SARS-CoV-2 B.1.1.7 variant / B.1.351 variant / P.1 variant / antibody / receptor-binding-domain / spike / neutralisation / VIRAL PROTEIN / IMMUNE SYSTEM / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / entry receptor-mediated virion attachment to host cell / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / membrane fusion / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / receptor ligand activity / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / membrane / identical protein binding / plasma membrane
Similarity search - Function
Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / Spike glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.
Funding support United Kingdom, China, 2items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 United Kingdom
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 China
Citation
Journal: Cell / Year: 2021
Title: Antibody evasion by the P.1 strain of SARS-CoV-2.
Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M.E. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Lopez-Camacho, C. / Slon-Campos, ...Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M.E. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Lopez-Camacho, C. / Slon-Campos, J. / Walter, T.S. / Skelly, D. / Costa Clemens, S.A. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Fernandes da Costa, C. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Dold, C. / Levin, R. / Dong, T. / Pollard, A.J. / Knight, J.C. / Crook, D. / Lambe, T. / Clutterbuck, E. / Bibi, S. / Flaxman, A. / Bittaye, M. / Belij-Rammerstorfer, S. / Gilbert, S.C. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Hulswit, R.J.G. / Bowden, T.A. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
#1: Journal: Biorxiv / Year: 2021
Title: Antibody evasion by the Brazilian P.1 strain of SARS-CoV-2
Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Paesen, G.C. / Lopez-Camacho, C. / ...Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Paesen, G.C. / Lopez-Camacho, C. / Slon-Campos, J. / Walter, T.S. / Skelly, D. / Clemens, S.A.C. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Dold, C. / Levin, R. / Dong, T. / Pollard, A.J. / Knight, J.C. / Crook, D. / Lambe, T. / Clutterbuck, E. / Bibi, S. / Flaxman, A. / Bittaye, M. / Belij-Rammerstorfer, S. / Gilbert, S. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Hulswit, R.J.G. / Bowden, T.A. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
History
DepositionMar 17, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 7, 2021Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Jun 9, 2021Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.3Jan 31, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_initial_refinement_model
Item: _citation.journal_id_ISSN / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: EY6A Fab heavy chain
L: EY6A Fab light chain
E: Spike protein S1
A: COVOX-222 Fab heavy chain
B: COVOX-222 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)120,07929
Polymers117,6365
Non-polymers2,44324
Water1,02757
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15180 Å2
ΔGint-263 kcal/mol
Surface area44580 Å2
MethodPISA
Unit cell
Length a, b, c (Å)54.168, 120.405, 211.580
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Antibody , 4 types, 4 molecules HLAB

#1: Antibody EY6A Fab heavy chain


Mass: 24346.273 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody EY6A Fab light chain


Mass: 23315.855 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody COVOX-222 Fab heavy chain


Mass: 23461.182 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#5: Antibody COVOX-222 Fab light chain


Mass: 23327.857 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 2 molecules E

#3: Protein Spike protein S1


Mass: 23184.951 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2
#8: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 4 types, 80 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#9: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#10: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 57 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 3.03 Å3/Da / Density % sol: 59.41 %
Crystal growTemperature: 294 K / Method: vapor diffusion, sitting drop
Details: 0.15 M Lithium sulfate, 0.1 M Citric acid pH 3.5, 18% w/v PEG 6,000.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9762 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Feb 23, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 2.5→61 Å / Num. obs: 48919 / % possible obs: 99.9 % / Redundancy: 26.3 % / Biso Wilson estimate: 61.49 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.401 / Rpim(I) all: 0.08 / Net I/σ(I): 4.6
Reflection shellResolution: 2.5→2.54 Å / Mean I/σ(I) obs: 0.3 / Num. unique obs: 2290 / CC1/2: 0.36

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Processing

Software
NameVersionClassification
GDA1.19_4092data collection
PHENIX1.19_4092refinement
xia2data reduction
xia2data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7NX6

7nx6


Resolution: 2.5→60.86 Å / SU ML: 0.3798 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 25.5548
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2525 2393 4.95 %
Rwork0.2054 45980 -
obs0.2078 48373 98.84 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 77.14 Å2
Refinement stepCycle: LAST / Resolution: 2.5→60.86 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8010 0 135 57 8202
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00248321
X-RAY DIFFRACTIONf_angle_d0.520311325
X-RAY DIFFRACTIONf_chiral_restr0.04191245
X-RAY DIFFRACTIONf_plane_restr0.00451439
X-RAY DIFFRACTIONf_dihedral_angle_d11.0372935
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5-2.550.36971090.34872202X-RAY DIFFRACTION81.92
2.55-2.610.35791480.33852676X-RAY DIFFRACTION99.26
2.61-2.670.33651390.322678X-RAY DIFFRACTION99.65
2.67-2.730.35411380.30822694X-RAY DIFFRACTION99.68
2.73-2.810.30061350.27712704X-RAY DIFFRACTION99.89
2.81-2.890.31941300.26822696X-RAY DIFFRACTION99.93
2.89-2.980.2761360.25832699X-RAY DIFFRACTION99.96
2.98-3.090.3181560.23232691X-RAY DIFFRACTION99.96
3.09-3.210.2991680.23482715X-RAY DIFFRACTION99.93
3.21-3.360.29441260.20742721X-RAY DIFFRACTION99.96
3.36-3.540.24441170.19592728X-RAY DIFFRACTION99.93
3.54-3.760.26971460.20372734X-RAY DIFFRACTION100
3.76-4.050.22451450.18822745X-RAY DIFFRACTION100
4.05-4.460.20081430.16192767X-RAY DIFFRACTION100
4.46-5.10.1941630.15472744X-RAY DIFFRACTION100
5.1-6.430.22251430.18862815X-RAY DIFFRACTION100
6.43-60.860.26491510.22971X-RAY DIFFRACTION99.94
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)
13.42718716796-0.3567673170230.4472428833484.50382129866-0.5614952757682.906519521240.1404888119520.2705510334580.45142958388-0.272860882149-0.165880485984-0.211901856388-0.3759633966120.3713755865580.002737974738670.430044875793-0.0550325474640.06408719344890.4536346344520.02149057292120.50559915544330.8412360206-16.3320681012-13.9056882663
24.719837583210.3454261840381.326363802822.64451709018-0.06103408737143.2974686387-0.17832600158-0.514550900620.2660667295570.2137911656520.0339635747673-0.586415585797-0.8463633839570.8908051103980.2858642933851.31727771004-0.1786748557890.28550633820.744690839339-0.01498986638041.0853019644621.403165236810.6758031745-1.91456855254
34.86394607867-1.07444150408-2.641220976054.067192381561.740850317324.602433594480.1740258625190.1498711865410.278416480113-0.138602963975-0.06102675135410.295232024247-0.393370438069-0.356287907369-0.04049308635280.3452204058110.036955598224-0.02919481040880.358343688610.04903451380470.4861225902559.39335816811-20.8568386118-8.04586339677
43.364903122941.7522595805-2.04514769023.01306252143-2.144181082771.886800105530.1053674133940.3057059894131.08919873429-0.270475633880.08535171928561.08938096801-0.791249184240.208046179184-0.2452683877781.4362345758-0.0753728685679-0.0197330058650.7582415570.1064527356171.309778336926.7887581925415.6273709801-8.180562611
54.223632928070.5501173118852.456408925332.74001676812-0.9865876974538.073840945390.1518274443120.120731742699-0.1895591834010.0336166170594-0.0955266664937-0.7026977302360.7169658358350.876965715063-0.0923226074910.529168822220.183752246433-0.06916772924510.537510345637-0.06670987969190.62504983758233.3730377936-48.6249317055-28.0060418408
61.7048590499-0.3391095558510.01174601017694.00067322133-3.729565801333.61696402379-0.00590564018701-0.3583684841140.1785114345840.215050259523-0.148366003768-0.4878677307-0.3726943436470.8509816962630.3214680081130.660970226176-0.0473781016836-0.04874416526180.659574038453-0.03697084551390.73847243568331.1689415086-37.2371849952-19.6297629495
73.077936976110.6701272467150.9421949845762.85687284683-0.2249483104764.95300093383-0.06288999476820.339172546542-0.170894280499-0.4119080929880.1607661240030.04890530837540.126755643420.300817263321-0.1471503613420.4167254029980.0130541200615-0.02995417171190.448153707867-0.007075393572550.45409870863722.6345409572-41.3514221498-36.5287845478
85.22058339404-0.394753235070.07856555357761.870619975420.1196715139515.730580080320.2677696033040.660050906182-0.337235708473-0.562668644833-0.1372642994620.2804566756990.970334585643-0.0123757018464-0.2144166970010.6889453839090.0367690306353-0.1411980335240.435696668162-0.005716673451090.57599817648911.964924137-52.0476254524-46.4304103216
94.66923916377-0.8280136318093.291759276995.28681908859-3.844658565028.785414212830.007364747615910.8371708031210.4856599364050.101579685122-0.314566735267-0.495694961631-0.7853223200770.8426802404510.3819829829120.3500588455340.015510964207-0.005611190437310.4420125170040.007987295311810.45362531091628.1918563893-37.5860652072-39.0012293597
105.29530284394.392568827616.510315719159.917078853943.25705058628.705294596151.21594390809-1.07721937064-0.5489968168552.27233624941-0.7899255894990.08723254417571.57420535181-0.820429932666-0.6606428645231.04768822288-0.0184097307213-0.08027079789320.6564298266470.04225414599330.609091840826.7686827985-51.533033474-11.3020638712
115.79885236963-2.03385208118-0.4130369304175.619988924991.712107240356.618219744430.124051325962-0.00908788995896-0.4296511362050.447624712287-0.04206610914281.494701468240.56196840973-1.569968957890.08448419977970.380700965347-0.12725641454-0.06067835269610.7574042242280.2426968101810.798309250904-9.90378098859-30.8091406867-50.0611945074
128.692758899-5.567328024331.292822218666.470552924520.4400048553.8588145820.1873379878340.189298502973-1.44794686498-0.1860958285960.07371375172341.694129522250.30569796869-1.00296170971-0.3609244660850.498761096709-0.0180379712061-0.08655318160220.6041795741340.1416209224290.865241028044-3.25944103476-40.6768515621-48.0297479133
133.97106000963-0.1054004398391.197287665750.9716977017090.08144541245445.658524626750.137623878064-0.1068580172450.1502416737520.1782787854730.1483768764060.2638894121360.0228389994638-0.0840151752336-0.3464664419630.4552042327540.0403430388446-0.1028028659330.5546025965580.09319579293670.6426348199183.08664895853-30.5797345149-46.4647254079
142.682578119131.713496824481.441058955837.276520668991.109843291683.074157637660.210935116312-0.12686576846-0.7170230316140.129775031417-0.0146571354792-0.4396596214520.118986114862-0.474580061696-0.2123338738870.44219368215-0.0181096817978-0.004299173192650.724093352060.08314949351970.627561499362-3.65415278072-34.0453811744-41.700734987
156.3347196517-4.91524375213-2.760721305494.779316892963.423235980975.31687566510.340230572758-0.4582211785350.291794667723-0.2042925181860.3294047204-0.496555029851-0.168736581722-0.155927199913-0.610410378270.466963436967-0.0413359464321-0.06014996102290.7593732690520.1248298778450.657704401921-3.41071552727-25.5435448985-47.9220784378
168.88089794655-6.561509242091.724836351638.46344124997-3.012748368614.7357829238-0.599925184351.35629471047-0.1713585563590.488433734949-0.107485204817-0.2054493792370.08768157150680.7131147248940.8356694308640.509181936812-0.0722088523061-0.09009041540210.6178830934820.08075513363980.6628230569086.61431685105-36.4489970547-53.8539363188
174.10314657122-0.8793118924961.540614757231.53856081053-0.01826440548345.849468962780.0715723793031-0.0537334009518-0.188494829899-0.05098626905690.01670123495320.266642370226-0.26679101728-0.5093502213320.06948554461990.48144075815-0.00723331938532-0.01677745959990.4548961403950.0571241013420.686336971131-19.7481390117-18.6582703946-64.7436573968
183.43463165217-0.5699111704280.8112870593614.103368753141.723013456998.10151043488-0.358837298898-0.666441013799-0.3796647162660.034289431126-0.0824895968121-0.08718875182270.5205912445670.06462414991250.3472248615690.3964605193960.05128989032630.04759329383640.5255006183830.1192803389540.741487087651-16.6071479469-25.4121243216-65.2189130611
192.87294473262-0.987632127721-0.5407885794254.09395038283-0.1500368770025.169542386180.1064629964620.0562763986008-0.0931691699475-0.267266353019-0.08326861379310.2426818728960.4757423618360.161846225558-0.1832438898260.3853142528770.0434142009411-0.01124541456540.4801233106110.04800950698410.520204335067-15.6105662672-19.6913075853-72.2548239062
204.544132760371.664163871842.093667976717.734195166665.072035142089.919572033640.00207241391322-0.251669211451-0.822097415832-0.2402417788760.5763648798760.04914937719340.09709192554080.371752386993-0.6375000616890.4366375034580.0729264143124-0.1016124803170.5263595543390.1453897226110.974647544809-21.6314106337-27.9816905274-70.2405452411
213.02470122747-1.732378118223.082929311183.27833115793-3.223885546784.155839381880.902642387379-0.539374957209-1.88066468532-0.1444471079070.3457519239010.8989125149360.639830540044-0.273797490758-1.363914035310.703377476402-0.0769365361564-0.1080583954750.738978935410.1089231508010.911155105503-26.4501889384-25.9816073292-70.686282129
225.917088191071.821539166253.569632285924.11073174272.465824976192.718413867960.2886836371461.201265052650.12910572378-0.1997418816920.389895964745-0.3295441636770.5441673811071.7512259875-0.6775373347680.4969560410060.02608684924390.03507780397090.914863936939-0.01498834169680.56583873134415.2722228827-20.8768760859-65.9331116745
237.53286226188-0.9035519301570.7012578236021.86714693092-1.931800513624.562375939060.3738537098140.969037626410.130655262187-0.213559231705-0.4220881542310.1317293690230.2816890164270.7438019084960.03600932628910.550154754280.1613337057040.004756658957970.6895035927590.04115496139740.56937062292415.1504822893-30.7365248845-62.6918460994
242.17361012804-1.110488141911.984877207313.6880564075-3.649594980526.617990370080.3279954260220.580207324385-0.164211944651-0.0236488000307-0.09330495739180.2464738684160.158797370868-0.39249444777-0.4375768796530.4836143539170.081282376351-0.0384165825940.7131105313460.003912451826330.65870377219410.7410189424-27.6823423297-61.5921936249
251.43584029566-1.838370606341.729747008592.35509363668-2.051441279113.108468310650.1350214162140.1508866337590.0422250174746-0.247849381006-0.188394699688-0.006882322204670.1127222166940.1560929090480.07967806832560.45039733449-0.0230079305646-0.09417210069440.3895122709360.0201575060890.591566631262-11.4454933777-14.7473032512-75.0832289256
266.6154791226-2.79007868056-1.73376571063.896017093141.422516494843.48654379541-0.156367360151-0.581592413736-0.03828030771780.114593068180.140560407855-0.18929838416-0.07346881231860.615317336047-0.0002858781361920.464240047248-0.035236272528-0.03431045228990.5681606878960.05745552409860.446158735527-12.9734234532-5.94061891852-76.9775394921
279.35693844379-8.76704353746-2.731523898819.716473449553.731980915574.304951814760.06170412436360.2144043337820.703444433511-0.1483492017810.163829558664-0.7414719892080.1868069641080.511077941763-0.07732423776520.4603514291520.0225561780373-0.04315743226670.56973527530.08257818953940.557305742604-6.4059273887-14.4852991161-73.2594102377
289.31576637583-0.351017514023-2.610224758714.34719022314-1.872909514877.49031228499-0.03654743432440.1054776634570.437332010057-0.02673163382860.4562588352030.502300645321-0.485213596659-0.458676378157-0.4082352039580.547295493246-0.00737496570311-0.02126745322010.436313277967-0.02807549728830.634423026787-22.0670629443-3.54077277898-75.3005062491
294.03378091928-2.28352795031-3.47676148834.69922362826-0.7559873257985.084799763630.4379825133861.8215938712-0.363352197851-0.451212324807-0.379203807080.102126711964-0.202187985923-0.277510299978-0.1608703619870.7476454722990.0092868032066-0.1336825744170.6321725291490.09045953885140.572731528696-17.1656695214-4.97167712035-85.0390798791
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'H' and (resid 1 through 129 )HA1 - 1291 - 129
22chain 'H' and (resid 130 through 221 )HA130 - 221130 - 215
33chain 'L' and (resid 1 through 114 )LB1 - 1141 - 114
44chain 'L' and (resid 115 through 214 )LB115 - 214115 - 214
55chain 'E' and (resid 334 through 364 )EC334 - 3641 - 31
66chain 'E' and (resid 365 through 393 )EC365 - 39332 - 60
77chain 'E' and (resid 394 through 459 )EC394 - 45961 - 126
88chain 'E' and (resid 460 through 494 )EC460 - 494127 - 161
99chain 'E' and (resid 495 through 516 )EC495 - 516162 - 183
1010chain 'E' and (resid 517 through 526 )EC517 - 526184 - 193
1111chain 'A' and (resid 1 through 17 )AG1 - 171 - 17
1212chain 'A' and (resid 18 through 33 )AG18 - 3318 - 33
1313chain 'A' and (resid 34 through 59 )AG34 - 5934 - 59
1414chain 'A' and (resid 60 through 82 )AG60 - 8260 - 82
1515chain 'A' and (resid 83 through 97 )AG83 - 9783 - 97
1616chain 'A' and (resid 98 through 112 )AG98 - 11298 - 112
1717chain 'A' and (resid 113 through 151 )AG113 - 151113 - 145
1818chain 'A' and (resid 152 through 163 )AG152 - 163146 - 157
1919chain 'A' and (resid 164 through 195 )AG164 - 195158 - 189
2020chain 'A' and (resid 196 through 209 )AG196 - 209190 - 203
2121chain 'A' and (resid 210 through 220 )AG210 - 220204 - 214
2222chain 'B' and (resid 1 through 18 )BH1 - 181 - 18
2323chain 'B' and (resid 19 through 76 )BH19 - 7619 - 76
2424chain 'B' and (resid 77 through 98 )BH77 - 9877 - 98
2525chain 'B' and (resid 99 through 128 )BH99 - 12899 - 128
2626chain 'B' and (resid 129 through 155 )BH129 - 155129 - 155
2727chain 'B' and (resid 156 through 174 )BH156 - 174156 - 174
2828chain 'B' and (resid 175 through 198 )BH175 - 198175 - 198
2929chain 'B' and (resid 199 through 213 )BH199 - 213199 - 213

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