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- PDB-7ps6: Crystal structure of the receptor binding domain of SARS-CoV-2 be... -

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Basic information

Entry
Database: PDB / ID: 7ps6
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-44 and Beta-54 Fabs
Components
  • Beta-44 Fab heavy chain
  • Beta-44 Fab light chain
  • Beta-54 Fab heavy chain
  • Beta-54 Fab light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-COV-2 B.1.1.7 (Alpha) VARIANT / B.1.351 (Beta) VARIANT / P.1 (Gamma) VARIANT / B.1.617.2 (Delta) VARIANT / ANTIBODY / RECEPTOR-BINDING-DOMAIN / SPIKE / NEUTRALISATION / VIRAL PROTEIN/IMMUNE SYSTEM / 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 / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / 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: 2.26 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, 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 United Kingdom
CitationJournal: Cell Host Microbe / Year: 2022
Title: The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Authors: Chang Liu / Daming Zhou / Rungtiwa Nutalai / Helen M E Duyvesteyn / Aekkachai Tuekprakhon / Helen M Ginn / Wanwisa Dejnirattisai / Piyada Supasa / Alexander J Mentzer / Beibei Wang / James ...Authors: Chang Liu / Daming Zhou / Rungtiwa Nutalai / Helen M E Duyvesteyn / Aekkachai Tuekprakhon / Helen M Ginn / Wanwisa Dejnirattisai / Piyada Supasa / Alexander J Mentzer / Beibei Wang / James Brett Case / Yuguang Zhao / Donal T Skelly / Rita E Chen / Sile Ann Johnson / Thomas G Ritter / Chris Mason / Tariq Malik / Nigel Temperton / Neil G Paterson / Mark A Williams / David R Hall / Daniel K Clare / Andrew Howe / Philip J R Goulder / Elizabeth E Fry / Michael S Diamond / Juthathip Mongkolsapaya / Jingshan Ren / David I Stuart / Gavin R Screaton /
Abstract: Alpha-B.1.1.7, Beta-B.1.351, Gamma-P.1, and Delta-B.1.617.2 variants of SARS-CoV-2 express multiple mutations in the spike protein (S). These may alter the antigenic structure of S, causing escape ...Alpha-B.1.1.7, Beta-B.1.351, Gamma-P.1, and Delta-B.1.617.2 variants of SARS-CoV-2 express multiple mutations in the spike protein (S). These may alter the antigenic structure of S, causing escape from natural or vaccine-induced immunity. Beta is particularly difficult to neutralize using serum induced by early pandemic SARS-CoV-2 strains and is most antigenically separated from Delta. To understand this, we generated 674 mAbs from Beta-infected individuals and performed a detailed structure-function analysis of the 27 most potent mAbs: one binding the spike N-terminal domain (NTD), the rest the receptor-binding domain (RBD). Two of these RBD-binding mAbs recognize a neutralizing epitope conserved between SARS-CoV-1 and -2, while 18 target mutated residues in Beta: K417N, E484K, and N501Y. There is a major response to N501Y, including a public IgVH4-39 sequence, with E484K and K417N also targeted. Recognition of these key residues underscores why serum from Beta cases poorly neutralizes early pandemic and Delta viruses.
History
DepositionSep 22, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 15, 2021Provider: repository / Type: Initial release
Revision 1.1Dec 22, 2021Group: Source and taxonomy / Category: entity_src_gen / Item: _entity_src_gen.gene_src_common_name
Revision 1.2Dec 29, 2021Group: Database references / Category: citation / citation_author
Item: _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.3Jan 26, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.year
Revision 1.4Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: Beta-54 Fab heavy chain
L: Beta-54 Fab light chain
E: Spike protein S1
C: Beta-44 Fab heavy chain
D: Beta-44 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)119,22412
Polymers118,3055
Non-polymers9197
Water95553
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)129.377, 112.567, 99.854
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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Components

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Antibody , 4 types, 4 molecules HLCD

#1: Antibody Beta-54 Fab heavy chain


Mass: 24547.523 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 Beta-54 Fab light chain


Mass: 23264.871 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 Beta-44 Fab heavy chain


Mass: 23907.768 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 Beta-44 Fab light chain


Mass: 22938.334 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: 23646.551 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
#6: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE

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Non-polymers , 5 types, 59 molecules

#7: Chemical ChemComp-PG0 / 2-(2-METHOXYETHOXY)ETHANOL / PEG 6000 / 2-(2-Methoxyethoxy)ethanol


Mass: 120.147 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C5H12O3 / Comment: inhibitor, precipitant*YM
#8: 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: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: Cl
#11: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 53 / 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: 3.19 Å3/Da / Density % sol: 61.43 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M Citric acid pH 3.5 and 25% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97627 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 14, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97627 Å / Relative weight: 1
ReflectionResolution: 2.26→65 Å / Num. obs: 68653 / % possible obs: 99.5 % / Redundancy: 12.3 % / Biso Wilson estimate: 65.35 Å2 / CC1/2: 0.974 / Rmerge(I) obs: 0.096 / Rpim(I) all: 0.029 / Net I/σ(I): 14.2
Reflection shellResolution: 2.26→2.3 Å / Mean I/σ(I) obs: 0.3 / Num. unique obs: 3128 / CC1/2: 0.265

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Processing

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

7bep


Resolution: 2.26→49.93 Å / SU ML: 0.442 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 33.5183
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2401 3455 5.15 %
Rwork0.2153 63592 -
obs0.2166 67047 97.21 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 79.59 Å2
Refinement stepCycle: LAST / Resolution: 2.26→49.93 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8028 0 59 53 8140
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00228284
X-RAY DIFFRACTIONf_angle_d0.552911282
X-RAY DIFFRACTIONf_chiral_restr0.04241269
X-RAY DIFFRACTIONf_plane_restr0.00441436
X-RAY DIFFRACTIONf_dihedral_angle_d11.84222941
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.26-2.290.5366860.51451449X-RAY DIFFRACTION56.56
2.29-2.320.50341370.47132152X-RAY DIFFRACTION83.97
2.32-2.360.49581330.44132365X-RAY DIFFRACTION91.8
2.36-2.390.40141490.40492581X-RAY DIFFRACTION99.49
2.39-2.430.38251250.36622588X-RAY DIFFRACTION99.82
2.43-2.480.37141300.35692566X-RAY DIFFRACTION99.74
2.48-2.520.36611210.34512621X-RAY DIFFRACTION99.75
2.52-2.570.39171350.34612574X-RAY DIFFRACTION99.82
2.57-2.620.42951370.35272598X-RAY DIFFRACTION99.6
2.62-2.680.36921640.34612581X-RAY DIFFRACTION99.96
2.68-2.740.30981480.30222557X-RAY DIFFRACTION99.78
2.74-2.810.29721460.28632580X-RAY DIFFRACTION99.89
2.81-2.890.32541490.25912591X-RAY DIFFRACTION99.71
2.89-2.970.27651370.26292604X-RAY DIFFRACTION99.89
2.97-3.070.31381130.26072632X-RAY DIFFRACTION100
3.07-3.180.27361250.27252621X-RAY DIFFRACTION100
3.18-3.30.33321530.28082609X-RAY DIFFRACTION99.86
3.3-3.450.27791260.25582621X-RAY DIFFRACTION100
3.45-3.640.25551370.23042634X-RAY DIFFRACTION99.96
3.64-3.860.24971350.21362631X-RAY DIFFRACTION99.93
3.86-4.160.21561580.18572641X-RAY DIFFRACTION100
4.16-4.580.15631510.14472621X-RAY DIFFRACTION100
4.58-5.240.15291500.14382672X-RAY DIFFRACTION100
5.24-6.60.18981510.16862694X-RAY DIFFRACTION100
6.6-49.930.20281590.16532809X-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)
13.521022794571.30048694067-0.03527085125256.26150740447-1.590285720494.457384241790.791288963123-0.1023564602461.092195461430.602250843361-0.1826794342-0.791163985074-0.8651521649570.168048468597-0.1856171262810.747199134075-0.06308965141380.00246164547560.5768777074520.03269852910440.760354649302-19.745870595461.3585922381-61.4200542299
22.582867007691.27235950390.2498604300826.53345138465-0.2920342657041.76441964620.0222891530616-0.0498746893481-0.0445152414515-0.281673856279-0.154270119078-0.5165185637310.2636613486780.1779877381610.1350750604350.5299942651730.05505273164020.03650627839110.4840335228230.03318707510510.512144978371-22.852083647752.0384284092-62.7681764148
31.747624848382.31424095367-0.169821499174.347791584220.1197453052530.64844729401-0.07555595524090.2568561236781.635826809570.0568860363246-0.4234950438961.64294844132-0.867617371991-1.53805538134-0.0605355125020.9988339549870.166484630601-0.05756239500980.950711937717-0.1412474229441.23925183185-39.809125127192.5042368641-66.5468283759
44.427693690410.0644126265491-2.049445669833.819764940990.8518781455294.48449615507-0.00848473237693-0.2773040124270.132071513627-0.0138917450719-0.215670208712-0.296341538171-0.532241483681-0.0169664867910.2074704500510.713170227865-0.00159845481385-0.08266608169770.5204056567710.01614397801420.536036361869-32.887180858982.7865550742-63.7922441396
54.4107129952-1.658698712872.423165667614.84308647693-1.195796972243.910727961820.2402858682220.277693446582-0.293311550213-0.646235266272-0.06940143058060.3951473440050.419612738025-0.0907317400595-0.2232220742580.686221775308-0.0331985665066-0.1205999079340.517376417768-0.02595425063010.560352782266-41.974289595949.5703559377-71.7873950321
62.22421240703-4.264678354291.519448437828.09839779167-2.914123766831.031094264530.695303414348-0.150985573839-0.504593339075-2.32388022448-0.3489259960831.190995144010.219221223955-0.389094789081-0.42214947540.7103724187870.106148788331-0.2499314009310.5379238565360.02108821384550.784489872277-49.678696123268.4245777585-77.3810045993
76.693262655082.816096267171.216593869155.52759388854-0.3895821807592.682312302840.2350581706040.004559277918950.170843222822-0.314697625819-0.404178286145-0.518102839221-0.4838626296280.1838086248410.08250231716570.8777070673160.1142284870430.02747748115090.5599931267190.04421659807220.565797626389-36.270990557385.7621608256-77.7604525869
85.67955430790.9994180443480.2270670135174.26784286799-1.239586779052.13366129854-0.166381353729-0.1775513280470.934011969776-0.162050030245-0.1880884656070.0105569915399-0.6054383894410.09240853354790.3574251112751.230022387210.206074217465-0.1119314601670.6903247221580.05443591423670.767609794615-42.31659486593.0292161867-81.4822544197
94.280921110080.66520071862-1.055902121615.44982803039-0.3188086962835.016567601970.222623172461-0.904820713174-0.3523557623410.663495641811-0.251538499595-1.063225813060.2549468507971.47978785163-0.01233464328520.9774614372070.0652436343587-0.1888653278821.09374760863-0.003162339274790.918785508327-6.7001203987615.5978084155-48.3059483065
101.849415094770.1201735712580.8765805175850.76551962205-0.1001702020214.013123731720.400599332704-0.026238821853-0.417871746246-0.0951160803976-0.2072809825-0.02890195080490.586713509594-0.0729074621903-0.2140212369740.7032263408310.104853002403-0.1202306603250.5098540414520.02162727399350.577094291191-22.298685346116.852413216-60.6222723171
116.66222438057-4.179382594463.729603553566.32550424173-3.784697787522.654170565670.436196815662-0.796751996598-0.398205808196-0.581566416055-0.3917196144211.169451553690.352791118819-0.6045765010540.1884515576360.523127430679-0.1381809991850.1346915699660.974661150409-0.1471710925190.695027383495-61.607237192519.6947187988-84.0974718009
124.82026496417-1.397166582890.868160030064.68035846858-0.916699938483.867482171170.294414382361-0.559239946103-0.2320878891670.197933135991-0.1045646324340.01195133837980.435569324848-0.338694004634-0.2278204413120.663088742434-0.0308064596846-0.02744003793640.867738700925-0.08952282678450.639353232588-49.231359666417.9051263797-82.0421258424
135.28791105587-2.105011162262.315259926681.4586255629-0.7170465689051.872441167630.109378517709-0.4945139800940.06995107637780.192599658940.01664782969110.04505120005540.148966839712-0.512930984789-0.1014326038550.624947906608-0.06337605357580.02400949384120.776253205212-0.1314178422980.576115252179-55.142928257121.462810203-83.7989228567
144.67689016608-0.1360677298871.112906143763.404237841671.425834819423.56601615318-0.2302547125320.03499299499730.0283728144512-0.2607015594750.365101117931-0.09612757789010.151146206490.43180699511-0.2292191613490.580364812666-0.002985520877320.06815916456230.571575817273-0.05511623194670.534266514085-75.81690241332.1150465135-109.937064964
151.88836599923-1.727476779241.87028407524.39145233616-3.190814588012.6750358490.267911671855-0.428282601245-0.2371410055810.1106464197880.7628901904490.4331283969140.888949234449-1.76335969929-0.6769928366710.639362944278-0.151399680130.06125026879170.715091427241-0.009022816215470.563948005185-84.122443953229.3074783004-108.113705149
163.967992456310.7317485383750.6561058197364.59982598382.301964104111.16413379655-0.6110661168620.03468826557610.891186389663-0.4847778092450.648887902688-0.0667006484054-0.09378392714-0.929612030586-0.2447457478580.54882041873-0.006492039983870.01792047771430.879318659281-0.02863241722240.807681500017-85.159773038335.3549019428-108.122122724
173.623981442290.118096660347-0.07095835969286.100233457434.003754890598.492483313660.06792421919821.458032034350.0153460015679-0.446294818141-0.2784469514660.1332612146410.2614306630151.39179254030.2501424232110.6535461479310.160745092056-0.02132115707341.29003160523-0.1077149233150.668437493444-41.017044908921.1126570511-107.505297676
183.59649088728-0.03006725945481.228029293160.9351311942280.4503225527043.248133716930.4455975495411.11761108371-0.728983779902-0.0823681249618-0.169825464843-0.07018327434590.6140719165710.428386299427-0.2830856675630.7260464533040.234443605403-0.04924053608910.965846169851-0.2537842283760.708930494634-40.858836441515.0593020823-98.6010887529
198.94219292424-6.577100950177.119184371264.80347791216-5.161752698065.833274726260.7889199028441.74403004217-0.0728488551446-0.328064087624-0.2467059641290.4524155397460.1205366647041.80792659635-0.1833718352490.9242917260430.264217749390.01301019983721.37740271729-0.254504336190.84245795474-53.246654931421.6043407434-116.924076857
202.63244105776-0.4296074163380.2100575750278.167153884472.087922846955.43415079109-0.1115833057550.1526630105950.05319928588210.2192866606990.467738067975-0.5387094759520.06332875844560.759719167577-0.2845611039490.404053895256-0.04420372560890.02300878913610.684939715524-0.1153479243120.49178377123-65.415354662136.5385717095-112.15549765
214.40484466541-3.53896506570.6418955406473.63940962068-0.8845183932.11640416285-0.556852558751-0.2485858793640.918525851550.5189580117370.776508061648-1.18898627091-0.9065563280210.130972835122-0.287211528920.574668877212-0.0545442547481-0.02193620408260.754102745308-0.07048267636230.668959972476-68.70886579647.4255017551-108.857324432
221.088930094191.277390914350.2977267772072.28589098694-1.198397577352.615646527540.04261485965210.927260731663-0.120790998889-0.5624113809950.0130460317553-0.178995740976-0.653293872430.2739865728440.09073146381410.763322335494-0.1591035958160.1269994291490.916361636369-0.09277947159890.866501454792-64.475075798443.7070584107-119.318743982
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 17 )HA1 - 171 - 17
22chain 'H' and (resid 18 through 132 )HA18 - 13218 - 132
33chain 'H' and (resid 133 through 147 )HA133 - 147133 - 147
44chain 'H' and (resid 148 through 229 )HA148 - 229148 - 229
55chain 'L' and (resid 1 through 101 )LC1 - 1011 - 101
66chain 'L' and (resid 102 through 113 )LC102 - 113102 - 113
77chain 'L' and (resid 114 through 188 )LC114 - 188114 - 188
88chain 'L' and (resid 189 through 214 )LC189 - 214189 - 214
99chain 'E' and (resid 334 through 394 )ED334 - 3941 - 61
1010chain 'E' and (resid 395 through 515 )ED395 - 51562 - 182
1111chain 'C' and (resid 1 through 17 )CH1 - 171 - 17
1212chain 'C' and (resid 18 through 64 )CH18 - 6418 - 64
1313chain 'C' and (resid 65 through 125 )CH65 - 12565 - 125
1414chain 'C' and (resid 126 through 194 )CH126 - 194126 - 194
1515chain 'C' and (resid 195 through 209 )CH195 - 209195 - 209
1616chain 'C' and (resid 210 through 221 )CH210 - 221210 - 221
1717chain 'D' and (resid 2 through 23 )DK2 - 231 - 22
1818chain 'D' and (resid 24 through 104 )DK24 - 10423 - 103
1919chain 'D' and (resid 105 through 117 )DK105 - 117104 - 116
2020chain 'D' and (resid 118 through 177 )DK118 - 177117 - 176
2121chain 'D' and (resid 178 through 191 )DK178 - 191177 - 190
2222chain 'D' and (resid 192 through 215 )DK192 - 215191 - 214

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