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- PDB-7q0h: Crystal structure of the receptor binding domain of SARS-CoV-2 be... -

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Basic information

Entry
Database: PDB / ID: 7q0h
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-50 and Beta-54
Components
  • Beta-50 Fab heavy chain
  • Beta-50 Fab light chain
  • Beta-54 Fab heavy chain
  • Beta-54 Fab light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 alpha variant / beta variant / gamma variant / delta variant / B.1.1.7 / B.1.351 / P.1 / B.1.617.2 / antibody / receptor-binding-domain / spike / neutralisation / VIRAL PROTEIN/IMMUNE SYSTEM
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
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.65 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 United Kingdom
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 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
DepositionOct 14, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 22, 2021Provider: repository / Type: Initial release
Revision 1.1Dec 29, 2021Group: Database references / Category: citation / citation_author
Item: _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2Jan 26, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.year
Revision 1.3Jan 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

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Assembly

Deposited unit
H: Beta-54 Fab heavy chain
L: Beta-54 Fab light chain
B: Beta-50 Fab light chain
A: Beta-50 Fab heavy chain
E: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)119,9166
Polymers119,0215
Non-polymers8951
Water0
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12220 Å2
ΔGint-49 kcal/mol
Surface area46320 Å2
Unit cell
Length a, b, c (Å)102.207, 42.472, 138.406
Angle α, β, γ (deg.)90.000, 99.935, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

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Antibody , 4 types, 4 molecules HLBA

#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)
#3: Antibody Beta-50 Fab light chain


Mass: 23792.414 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-50 Fab heavy chain


Mass: 23769.736 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

#5: 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-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 894.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE

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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: 2.49 Å3/Da / Density % sol: 50.53 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.1 M Tris pH 8.0, 28% w/v Polyethylene glycol 4,000

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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: Sep 29, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 3.65→89 Å / Num. obs: 13577 / % possible obs: 100 % / Redundancy: 6.8 % / Biso Wilson estimate: 98.77 Å2 / CC1/2: 0.95 / Rmerge(I) obs: 0.55 / Rpim(I) all: 0.226 / Net I/σ(I): 3.7
Reflection shellResolution: 3.65→3.71 Å / Mean I/σ(I) obs: 0.5 / Num. unique obs: 655 / CC1/2: 0.434

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Processing

Software
NameVersionClassification
GDA1.19_4092data collection
PHENIX1.19_4092refinement
xia2data reduction
xia2data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7PS6

7ps6


Resolution: 3.65→88.62 Å / SU ML: 0.6458 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 30.9104
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.3028 705 5.2 %
Rwork0.2547 12841 -
obs0.2572 13546 99.73 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 125.67 Å2
Refinement stepCycle: LAST / Resolution: 3.65→88.62 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8135 0 60 0 8195
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00298406
X-RAY DIFFRACTIONf_angle_d0.595311456
X-RAY DIFFRACTIONf_chiral_restr0.04391303
X-RAY DIFFRACTIONf_plane_restr0.00491460
X-RAY DIFFRACTIONf_dihedral_angle_d11.61863007
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.65-3.930.36441490.32612505X-RAY DIFFRACTION99.1
3.93-4.330.34241360.28722525X-RAY DIFFRACTION99.85
4.33-4.950.30081360.24312544X-RAY DIFFRACTION99.96
4.95-6.240.26871240.25832601X-RAY DIFFRACTION99.93
6.24-88.620.28241600.21912666X-RAY DIFFRACTION99.86
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)
15.0072747888-0.5187931053662.534421977023.542075684630.6150928693734.325574692690.675359752877-0.992562780004-0.8824819611370.360372155980.0692439620465-0.1229497807290.290111120429-0.00766609703812-0.5755047574630.588707068771-0.0460176190595-0.04400273079420.7613868839250.2320690855530.88092314409233.7120184921-9.0153469649126.8672106236
24.77834779905-0.5215582766572.496756603591.28782316134-1.062397339565.909910009190.155802248138-1.61791109252-0.1898234497920.6122232510710.171844803471-0.28899358243-0.3241546796820.778370010938-0.4647450267950.8170576642830.0515465643869-0.1994321094971.46620244823-0.2910502506650.81941961371954.4831553127-1.812265905736.8820195714
33.52579512548-1.540902246260.9775610759844.73199014617-0.1967025267453.146816593210.0111395551862-1.105110922470.185357671832-0.1803503040521.025636006650.85299365662-0.5081066879780.54456913775-0.8737196567540.717519585834-0.1891741565060.1665925215591.50978974836-0.01949703459060.92409472730860.02620881562.534362195342.4397084035
45.11259808141.850457719720.2091637391072.697272869221.103702099111.000768003180.2961288172141.78385590499-1.2044562431-0.4490944221780.000278768839129-0.197546319267-0.002688923061680.340926366966-0.2836558189370.7294986403430.0524430590831-0.1076154858231.40755506289-0.2919830907320.99595437712647.1244360767-1.95937516897.99660994608
56.08007350597-1.461731802073.81269796631.18624853194-2.320347497475.99121111936-1.625581398190.8263203122562.325747693210.484501159632-0.995934535555-0.781975341039-1.142461345810.5273814015891.602738164311.01028450403-0.306624169607-0.06336591544060.8385076324060.1057270178430.94499946885442.05103209517.0217348860815.7504351753
65.33206760169-0.6272217223611.346401890283.00476389246-1.447779408283.95215781043-0.4032945591361.741529585770.0464582673809-0.4002671969980.4627501935590.7568950823310.1241440634760.75636733231-0.060778392880.568838764176-0.05099590194560.02244856244560.74960083813-0.01052609228830.83929366687144.8363873910.42495971167910.61149218
71.30312572441-1.454054777813.498174935371.5891759904-3.829386102619.69922077975-0.4904633347880.52318951899-0.979019117658-0.214288740223-0.307581329743-0.683788432316-0.5232864848311.45125321803-0.04501257148120.6774628207110.0647970074467-0.1278545518411.57378660796-0.1908170567311.0251078781564.21445398116.6044870945317.2036513289
84.50577205119-2.673472789970.01418845410252.74238532277-2.534151210394.931406657750.864928294481-0.890089040658-0.5082530002050.4998691959050.8531020934031.55859178533-0.4130104747010.225419511087-0.1054674986870.8343881372-0.246975250721-0.04426709362541.86850103085-0.3951964062571.2414701322970.95114178520.47250349030337.9596391812
95.05115360203-2.729177136280.823309931264.745976196480.7183965489990.538498823021-0.157848905322-0.846629390823-0.610537339964-0.138377832902-0.583800189543-2.723762759190.2947336136391.93934175116-0.457954213899-1.580336888550.0346064325773-0.147388805693.11609043488-0.07695849393650.99937074348381.8410112882-5.4667534304433.3562372421
104.34134332152-0.417029502880.6467759224922.20556786797-0.7604870486233.213263600720.207166864676-0.342329818155-0.1376666983390.0702172638239-0.365012607839-0.8966665408350.5077024150722.51124498993-0.1477951642650.3879318056060.0560032101585-0.2588762374131.655924439210.1708771231741.414649682572.5917272601-2.3902774132234.5390427396
113.83096991223-1.096246663351.462176644234.95175932954-1.161802958190.6288309620291.334759641941.71273172790.152376420442-0.3036602919071.712958327351.180264372781.007156331581.06790335748-0.5956730723231.06552145043-0.41248621978-0.241263509752.67437581883-0.1628377820160.96993175261481.58324842944.3655023362336.1193176994
124.13591336494-0.3082881833611.269913952454.778273418361.759440368767.005746602160.898486807136-0.1925276434541.47109381318-0.4983257295530.209704878275-0.595495609145-0.6321371505350.0918490264862-0.8495849464940.9730777943310.07573285608420.1424722532750.634116001386-0.1147441206510.86966040557620.3254940892-36.104909929134.8110742392
134.10970338884-2.527926635260.03530230507863.264108559720.6713658088686.088891404460.8651999333380.505255243126-0.1551192394240.00741640368964-0.440337464987-0.988952751855-0.9681490293460.07124629731-0.02697039914530.721690805014-0.0398374342521-0.02539370627960.8935510093780.2077316539490.72982635330113.723465724-28.778916747731.106725829
149.083307990441.66886442249-0.4159251905324.546385466571.894235777744.57709299762-0.580062103457-0.4590998983182.755851676441.07017440753-0.311584743085-0.146506813337-0.9169029932711.25505460818-0.2655144243690.722201754991-0.258823805232-0.1091467284641.017261248220.07490143752461.4811731324721.3397942478-27.313031978538.1239167961
150.8552849534660.6945686981770.1823638220061.644706769480.3592310244010.4879477550590.01833878647161.82628853915-0.939661277736-1.80162676119-0.8246465682650.0855127542851.57538190690.6951294007370.182131400430.7675623296020.147861752528-0.05939344810441.14654605981-0.1098822049430.8213209068252.72701598647-34.352448950132.904110622
164.032226564480.0583986042759-1.663800350011.281938553181.022484831617.13037195753-1.5407371431-2.10323526120.7756876671712.05510710464-0.862151150468-0.2970002880311.930349165562.45695601939-0.5508191791051.402218092780.3681257215590.1518551413791.316362491930.1747721247451.1164045868631.5686314839-36.842799419545.7784819851
171.468236180732.427503820242.791926259584.268306380235.028657789775.88220739737-1.95955105367-1.6474204512-0.469018463937-0.525179511977-1.961152038990.129558791353.21551163005-0.3604639490871.37514456062.261884969561.042998337770.6891574870713.085621572340.4541645610021.7451584905722.9823899958-44.969332353573.364796453
184.89574162768-0.2160332268623.79198390413-0.0415866204668-0.2076770575653.093314377790.5977933378562.36857845644-1.824984453571.88621065233-0.121024574141.636394647331.743262487940.8969280406790.7548611568222.530700703590.2998685517830.4576351416670.998712370144-0.09623181185661.348804999925.1437895769-45.921646821658.255017224
196.70080087835-0.224297879111-0.1424105509096.77881261368-1.207290266436.96826906798-0.359072425154-0.733374003751-0.4378344085821.0132865844-0.0702032791376-1.461187104061.20080863483-0.5814562445370.2399642511271.32236752233-0.0419071516449-0.3900161741711.294182134010.1991461365451.2138637456423.6086262735-42.442887149656.6235054018
200.106546213501-0.7079341776720.5341141042133.7810105361-2.58063591171.67848328112-2.19795055041-0.816663236772-3.04765476859-1.37279300087-1.081012804971.211502194652.498589765720.9348266379361.482021622553.286930893330.4425684070750.682722958560.2764666855090.3938203536932.1124774665720.9764055958-52.825691440867.9834596996
213.041238968540.716988044344-1.180393532810.1690130754550.1381483273995.227626858430.42372917018-2.07372755162-0.4370379831840.511353813294-0.1270653756740.2181883968841.828478412220.06755500150820.7139274408733.423207473131.519934723951.571738253151.459440535560.08727621083451.3682481053731.6305003717-51.907991145761.5934277556
225.87030511123-3.039997784830.02202955173553.64889355284-0.4424744579427.585508259910.109148256826-0.743329228952-0.5837805497570.2007688766260.5171367172380.5014969565590.145824824335-1.083136039950.01221565586020.766530277678-0.07807846671440.1096057181960.916278084246-0.1303918650210.648672491142-5.77897965756-29.875482769343.720204746
233.336637181540.3605703805480.282778989181.295692247421.271228398616.1781998922-0.747772778079-1.76511667550.4610226522881.183511626810.716071522692-0.6440395403570.348140743618-0.105288915590.009340912057311.382519527030.3786174937890.05549704958221.301220700570.0323349262390.93189110707213.0998583505-31.38125307961.4845400898
244.093097929563.154928382285.39798909346.502632129856.596802506488.48070195478-0.0306355061077-1.665904298030.4836839235720.0600235774778-1.005013060430.626815800762.211089415990.755581789185-0.1462315400660.7749669886880.337786205806-0.03979813564930.854929860025-0.114293700251.03741451734-6.09025348281-24.896203396822.0768217433
257.459206413274.23105794894-2.428768778342.15233878751-1.129465782325.83944392849-1.110919980340.265314974074-1.284516665691.646268033350.397583263839-1.883038761780.8302461503521.42725831004-0.4471993003730.7655689489620.335909387136-0.3089522849490.819542188387-0.06374206438670.5297515533384.28468495713-22.119446523611.8129713419
263.44864900583-1.33020455993-1.875253827182.82038333094-1.77674947993.74770956181-0.313403153998-1.500182428880.8632956429620.5241046199850.2059992146471.953725623530.1233455231730.677734366072-0.3912451184891.081636450660.2117061624640.2080104321050.9973052436910.1615658732320.916960087473-10.7279901642-13.729328943618.6238223119
274.86045850656-0.5269778437140.8608967442184.592375889471.233398381464.272423165060.2174352948490.3683084372210.157208290602-0.02534872912090.0913041048020.2601402851760.4962868233670.568990863855-0.3460692478030.574106010004-0.069331912837-0.0558369450860.599838972366-0.006041943302980.6333673174715.14666619051-13.47646271455.55429606042
287.294440946481.43394981485-2.611436622914.75071771124-1.331887064693.98520644056-0.06202962609223.352149429860.273918359107-0.203838112834-0.511201826189-1.74255065726-0.730584188737-0.016918597632-1.173152071570.6709739347310.0487426327196-0.08195701661351.430198247950.2175265385431.1969783265720.0340793857-18.5419459063-9.68899386325
292.539763117913.12858893383-1.245684167015.910108001780.2530499517632.289198366370.909962801899-0.726630714218-0.932357706110.714146338498-0.9225395984160.275245402339-0.5836004409060.3361480370550.1491774231380.3660068461730.06257377534-0.2754990763480.5870776498910.1154832489480.9690253919198.56279759601-10.046159444612.7774003552
305.45685913817-3.12626745692-2.201328973027.212203987020.9991569305373.92565099589-1.458770580371.52668560454-0.4940314804340.910741876863-0.2072992636891.403504838261.64972863674-0.804897178959-0.1311427761550.77182305886-0.2067143019140.01768077468391.407471972760.6885204941921.72582360424-18.0231702349-24.908475980212.4791692561
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 111 )HA1 - 1111 - 111
22chain 'H' and (resid 112 through 147 )HA112 - 147112 - 147
33chain 'H' and (resid 148 through 229 )HA148 - 229148 - 229
44chain 'L' and (resid 1 through 38 )LB1 - 381 - 38
55chain 'L' and (resid 39 through 61 )LB39 - 6139 - 61
66chain 'L' and (resid 62 through 101 )LB62 - 10162 - 101
77chain 'L' and (resid 102 through 113 )LB102 - 113102 - 113
88chain 'L' and (resid 114 through 143 )LB114 - 143114 - 143
99chain 'L' and (resid 144 through 155 )LB144 - 155144 - 155
1010chain 'L' and (resid 156 through 198 )LB156 - 198156 - 198
1111chain 'L' and (resid 199 through 214 )LB199 - 214199 - 214
1212chain 'B' and (resid 1 through 18 )BC1 - 181 - 18
1313chain 'B' and (resid 19 through 76 )BC19 - 7619 - 76
1414chain 'B' and (resid 77 through 90 )BC77 - 9077 - 90
1515chain 'B' and (resid 91 through 105 )BC91 - 10591 - 105
1616chain 'B' and (resid 106 through 116 )BC106 - 116106 - 116
1717chain 'B' and (resid 117 through 131 )BC117 - 131117 - 131
1818chain 'B' and (resid 132 through 153 )BC132 - 153132 - 153
1919chain 'B' and (resid 154 through 177 )BC154 - 177154 - 177
2020chain 'B' and (resid 178 through 200 )BC178 - 200178 - 200
2121chain 'B' and (resid 201 through 216 )BC201 - 216201 - 216
2222chain 'A' and (resid 3 through 73 )AD3 - 731 - 71
2323chain 'A' and (resid 74 through 219 )AD74 - 21972 - 212
2424chain 'E' and (resid 332 through 342 )EE332 - 3421 - 11
2525chain 'E' and (resid 343 through 358 )EE343 - 35812 - 27
2626chain 'E' and (resid 359 through 393 )EE359 - 39328 - 62
2727chain 'E' and (resid 394 through 469 )EE394 - 46963 - 138
2828chain 'E' and (resid 470 through 494 )EE470 - 494139 - 163
2929chain 'E' and (resid 495 through 516 )EE495 - 516164 - 185
3030chain 'E' and (resid 517 through 527 )EE517 - 527186 - 196

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