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- PDB-7nx6: Crystal structure of the receptor binding domain of SARS-CoV-2 Sp... -

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Basic information

Entry
Database: PDB / ID: 7nx6
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 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 / identical protein binding / membrane / 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
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25 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)119,30826
Polymers117,6025
Non-polymers1,70621
Water5,242291
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14670 Å2
ΔGint-232 kcal/mol
Surface area44150 Å2
MethodPISA
Unit cell
Length a, b, c (Å)54.391, 120.146, 211.706
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 / S glycoprotein / E2 / Peplomer protein


Mass: 23150.891 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
#9: 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


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, 311 molecules

#6: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#7: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO4
#8: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 291 / 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: 3.04 Å3/Da / Density % sol: 59.52 %
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 XE 16M / Detector: PIXEL / Date: Feb 16, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 2.25→120 Å / Num. obs: 66793 / % possible obs: 99.8 % / Redundancy: 34.8 % / Biso Wilson estimate: 45.88 Å2 / CC1/2: 0.991 / Rmerge(I) obs: 0.438 / Rpim(I) all: 0.073 / Net I/σ(I): 4.3
Reflection shellResolution: 2.25→2.29 Å / Redundancy: 17.3 % / Mean I/σ(I) obs: 0.3 / Num. unique obs: 3140 / CC1/2: 0.32 / Rpim(I) all: 0.77 / % possible all: 95.8

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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: 6ZCZ

6zcz


Resolution: 2.25→105.85 Å / SU ML: 0.3557 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 25.2733
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2484 3310 5.09 %
Rwork0.2073 61668 -
obs0.2093 64978 97.11 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 67 Å2
Refinement stepCycle: LAST / Resolution: 2.25→105.85 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8007 0 89 291 8387
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00198278
X-RAY DIFFRACTIONf_angle_d0.519511267
X-RAY DIFFRACTIONf_chiral_restr0.04211246
X-RAY DIFFRACTIONf_plane_restr0.00461440
X-RAY DIFFRACTIONf_dihedral_angle_d11.35582934
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.25-2.280.369900.37151515X-RAY DIFFRACTION58.47
2.28-2.320.38771410.34812132X-RAY DIFFRACTION83.47
2.32-2.350.35891230.342392X-RAY DIFFRACTION90.53
2.35-2.390.40871310.33552507X-RAY DIFFRACTION97.45
2.39-2.430.3411310.31462619X-RAY DIFFRACTION99.96
2.43-2.480.30631220.29362655X-RAY DIFFRACTION100
2.48-2.520.31621620.28162561X-RAY DIFFRACTION100
2.52-2.580.28141320.25952644X-RAY DIFFRACTION100
2.58-2.630.33531290.25132611X-RAY DIFFRACTION100
2.63-2.690.2771480.24712617X-RAY DIFFRACTION100
2.69-2.760.29691370.24642619X-RAY DIFFRACTION100
2.76-2.830.3091580.23642616X-RAY DIFFRACTION100
2.83-2.920.29181330.23292622X-RAY DIFFRACTION100
2.92-3.010.27991370.22462665X-RAY DIFFRACTION100
3.01-3.120.24521660.21152599X-RAY DIFFRACTION100
3.12-3.250.25091410.21222641X-RAY DIFFRACTION100
3.25-3.390.27311310.20482659X-RAY DIFFRACTION100
3.39-3.570.26071330.19572661X-RAY DIFFRACTION100
3.57-3.80.24651500.18882634X-RAY DIFFRACTION100
3.8-4.090.2341490.17422659X-RAY DIFFRACTION100
4.09-4.50.18651380.15532710X-RAY DIFFRACTION100
4.5-5.150.20061480.15622682X-RAY DIFFRACTION100
5.15-6.490.19721370.17842751X-RAY DIFFRACTION99.97
6.49-105.850.20631430.20232897X-RAY DIFFRACTION99.8
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)
12.78105423666-0.671050826446-0.3836221368654.14971232195-0.6626756180842.855394236930.3637038180670.3117269702720.64460609596-0.161612737871-0.161332630027-0.280684908498-0.4837216141040.359629213851-0.1216609596450.434608084333-0.06251924849280.1049775937890.4072004740590.04493585664110.49447598566530.8452616698-16.7021848254-13.8838435385
28.39274556318-0.180295988531-1.739361325420.199969678658-0.4300805478851.56723811484-0.224598628049-1.491315384110.60927112985-0.9563714388720.515172798671-1.09021711375-1.064490236561.01355835804-0.3765975555971.32191213264-0.272236925280.5787459380590.915282089979-0.2449874814311.4747829866121.099379667910.9999392325-1.63223055331
34.79177002758-2.86817401133-0.5273159851366.560247183833.534940899076.145795476290.5992891258810.5875569121460.115853568235-0.617936807667-0.4714901124460.363315748086-0.955999939694-1.03795294582-0.1281985190120.4904827920270.1071323710480.06437170462820.4875790585110.1396822656060.3669389584533.92854152307-20.0386482898-11.5336796152
46.94149104484-2.13191232321-2.052902451376.869848536623.882863243196.997047115090.161507791230.486302231811-0.454204302560.163715042781-0.2219489138880.6396024194140.299575211928-0.470979039376-0.1005147573240.2753497025620.01496063137720.002150182716220.3218197617650.003543213348550.27072720416413.2338572505-27.1986294761-12.6587921748
55.06924766266-2.74515143991-3.127272072284.809606584052.324408547565.658242039860.212855355953-0.01451441438240.2917709222430.09277496405610.030451522180.121300004862-0.4371250065110.107214850918-0.2316621202940.339932607098-0.0201438416860.03524358973890.3270854309910.008160734464650.34300576557512.0384573192-22.5961346075-6.53917162379
63.370987471260.537264273412.159672707332.903920640893.340524502684.56895395028-0.342620231975-0.06145591405291.782850691380.1089220572480.237665445958-0.462821987551-0.2451535053950.5431963234290.2093272311141.010715659840.2270531207910.1953562194940.6076468576330.01823426163131.098914189522.452943978241.68629794017-1.73686370898
73.077331011363.58612670477-2.144733058464.95306511198-3.269103889332.251888999950.389361261629-0.07325815382882.10779957235-0.2963624763160.5020093277350.113267203073-1.728705710730.850473588515-0.6081214921391.77073315672-0.340617607460.7791450018090.9817104506110.08390112240312.0144594449514.341392346118.5694808127-6.59786429332
87.518032950370.1802931019110.1780137539425.32364026092-1.769184167622.89156895097-0.3445953199360.8173471225220.947847432501-2.08512031107-0.162437249186-0.649290302682-0.9410734556160.2632604056370.5245187532141.477849042420.05349282237640.1104519252140.6203607019110.05704780376590.7770191466454.043810735048.78512440843-8.7881223407
91.55838985102-1.693892109710.2716122071511.88566433218-0.05691260017671.13008238986-0.4854823203030.2483081877881.88694782821-0.8543295387561.018800141690.788761320544-0.2787618709370.417879019572-0.2370794670621.74064456655-0.1626994387810.4451514220820.575288382280.2162182316121.94902550127.4402681704119.822027024-11.0798433897
100.558086506438-0.4427272840641.471780002120.353649211557-1.172096129793.87590310939-0.242156250628-0.4524843926940.7255401685880.03949808860671.40806235614-0.110214151494-1.64844808340.0906817642043-0.9503533173541.733934114340.1473247347040.3504990998220.6230588196830.009808453413742.255723848670.1093242523820.2278474732-3.69050931847
113.56709261261.057191989632.115273562381.01339556473-0.8855990922856.564834865040.01495242014670.5502505070570.1559684989450.26219360754-0.0384187769409-0.8295257889630.7303306683850.990639518163-0.05468479131340.4055988692610.17451236238-0.1076213647920.466856248353-0.04758727452830.4830968626933.7289463522-47.0806046039-31.668784569
122.53027242838-2.034485017262.742693557691.63315321329-1.970093729145.428647099380.135422889406-0.05160269603850.2524120972090.445322766986-0.086950314804-1.167378118810.1866567472520.6652219797060.07479271218430.4334277830610.0990864781763-0.07671216022980.564886151641-0.06539989965070.6951651541334.670074275-42.9159359544-22.966287814
134.97522763061-0.08487919235261.811417025815.77031158388-1.807041188217.98569568266-0.019276772281-0.5754748345020.2433843739120.661365555343-0.0137993239904-0.6986857684790.1118004446530.2071292787570.1139813046460.4189272868260.0692026854591-0.08176647673610.436158641271-0.1384769169430.42468363939927.7856818776-37.9519420575-16.998574938
142.446342654280.6224568273621.455677335431.841947396871.484428496292.828818109470.1090249643530.1221699081220.0952448687523-0.02861466660360.0540833348246-0.1879200324070.1246165528090.157695503309-0.1209754437150.2284805436880.0474362978637-0.0008916833654150.3038508746730.02621286310610.31048787654719.985706735-43.7932340472-37.7457267636
152.10036311152-0.01784582165452.377837223331.885055178330.4377536625013.201000408960.08160422109360.1140886216680.136420916768-0.00867143730311-0.0298298403839-0.09172816779270.27508503990.00891621666064-0.07725596394650.1954734301090.07665314780470.06026107613640.363806943978-0.0004616664092990.36738403056222.653056673-44.5400388019-38.39399166
162.45551732452-2.2463698310.4986017636713.55210728344-0.7456570945591.376004150050.107252140773-0.00143415479186-0.003181599623140.0286046001164-0.06517686447090.1085578855180.0207760099684-0.155255413576-0.007535697738890.2326383900780.01083199281830.01091016316790.4127605384060.08411126554260.35025543075-3.01335432641-31.7670030432-47.831778361
174.16103826392-0.7236237507930.1450229047364.663212353262.303517643036.090469258670.1426313502070.0197118138467-0.625940225065-0.296738803164-0.03690523269710.2507268414390.3725381394970.0177316356333-0.06563088738290.300003607940.06835697120650.006595752557540.2893146716930.06024073989520.458696953968-20.0391910357-22.4297588145-71.0727396252
184.799874330841.300634443491.40493227043.130966931170.4902721631892.020896121710.3271370420160.830084261270.4388506072190.1823796005430.1327230691010.007963984445450.227581727652-0.013343925997-0.3166722615110.4482912250050.1172111619680.08536785298570.5216820997980.1722480985410.52977844501514.8743809433-21.0895641139-66.1704354993
196.052190743841.110525700530.257954141692.57454753065-1.467206810134.432249186160.0385140784730.576099469018-0.122129338194-0.21349211723-0.226715575389-0.0287192615239-0.01246821013610.3328403991840.2298413515480.3507659403270.1256619812080.05552467452640.4722047270870.0933426816550.45351436027514.8657772321-30.9437258559-62.8217946356
203.441275327-1.22867790672.00641036192.54737544355-2.717529392243.07787450030.4419163945110.4883998868540.0472461986019-0.2155782279050.0433757240939-0.1741785081580.373712001963-0.485748624441-0.407411229780.3867492845960.1064436152460.04933719032730.3557479162210.1036922646030.44048583431210.4499202299-27.9161619573-61.7680831602
211.52369141251-1.069463264271.690669089981.10242954811-0.9618295127351.991861248530.335609204920.678004674499-0.12576241458-0.284671191805-0.481578975891-0.2102002619820.170178013350.8277331976250.08410640829210.392729742630.1034016495480.09571601598980.5217377850930.1207646579950.463718093902-4.84140782694-15.6267930442-77.2335014239
224.05982106814-2.29240664241-0.8427932051514.3736113688-0.3822786447293.81891819472-0.0878918228024-0.294105706744-0.3524732835790.0637684999180.0238716498753-0.0598556652035-0.09739902524310.235532333180.1129746341650.2460570609760.0302661014397-0.02678666478040.3606428978440.0734324308610.230664845867-16.5817269839-9.16133770527-75.2842792493
234.0160287278-2.819776837810.8460236410327.03212314114-2.301010247725.21547756790.2978471152620.05479054379130.100079269444-0.153564951421-0.450406495073-0.363463053074-0.5510187767870.54434359730.0370658505580.3200836177290.006573990308910.07818121861750.3046815195310.02159894107790.418249175153-15.9199084901-1.83574727473-72.5823702855
247.78303501917-4.07263431491-0.986040906462.22725219363-0.4701198618779.947024028060.3558516417970.3578538975290.1474748901410.3104514530570.442145174955-0.327205188110.2554403734210.868112856924-0.8173044726870.5196626187040.1547078503850.07115702619290.5752876553520.07695290325280.544645700221-2.45198306542-20.5524936335-76.2612688519
256.74415197072-2.90705696499-0.9964603630294.9967834708-0.4265820041744.766258421050.01067831888740.4921028750230.4739742963820.02897809516780.1082458382620.433774758514-0.374103735157-0.505430945339-0.1232350171480.3451351112420.0215648616822-0.006061160460650.3136930733660.03542976240310.394205689435-22.0496825156-3.46663638704-75.5916411155
269.61794820535-2.56493810262-1.881999908994.80569694754-0.8776279889684.283205927290.625833959971.232802048610.0978843265547-0.602131540376-0.525042900569-0.191694465065-0.2721374833150.0864028775207-0.03744367225220.5056997458570.0513773980901-0.03730575863930.4046288582630.05582784136530.28406569384-17.3745184116-5.05956337704-85.2937684091
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 127 )HA1 - 1271 - 127
22chain 'H' and (resid 128 through 221 )HA128 - 221128 - 215
33chain 'L' and (resid 1 through 25 )LB1 - 251 - 25
44chain 'L' and (resid 26 through 38 )LB26 - 3826 - 38
55chain 'L' and (resid 39 through 102 )LB39 - 10239 - 102
66chain 'L' and (resid 103 through 119 )LB103 - 119103 - 119
77chain 'L' and (resid 120 through 140 )LB120 - 140120 - 140
88chain 'L' and (resid 141 through 173 )LB141 - 173141 - 173
99chain 'L' and (resid 174 through 199 )LB174 - 199174 - 199
1010chain 'L' and (resid 200 through 214 )LB200 - 214200 - 214
1111chain 'E' and (resid 334 through 353 )EC334 - 3531 - 20
1212chain 'E' and (resid 354 through 375 )EC354 - 37521 - 42
1313chain 'E' and (resid 376 through 393 )EC376 - 39343 - 60
1414chain 'E' and (resid 394 through 479 )EC394 - 47961 - 146
1515chain 'E' and (resid 480 through 526 )EC480 - 526147 - 193
1616chain 'A' and (resid 1 through 125 )AF1 - 1251 - 125
1717chain 'A' and (resid 126 through 220 )AF126 - 220126 - 214
1818chain 'B' and (resid 1 through 18 )BG1 - 181 - 18
1919chain 'B' and (resid 19 through 76 )BG19 - 7619 - 76
2020chain 'B' and (resid 77 through 98 )BG77 - 9877 - 98
2121chain 'B' and (resid 99 through 121 )BG99 - 12199 - 121
2222chain 'B' and (resid 122 through 150 )BG122 - 150122 - 150
2323chain 'B' and (resid 151 through 163 )BG151 - 163151 - 163
2424chain 'B' and (resid 164 through 174 )BG164 - 174164 - 174
2525chain 'B' and (resid 175 through 198 )BG175 - 198175 - 198
2626chain 'B' and (resid 199 through 213 )BG199 - 213199 - 213

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