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- PDB-6zcz: Crystal structure of receptor binding domain of SARS-CoV-2 Spike ... -

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Basic information

Entry
Database: PDB / ID: 6zcz
TitleCrystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
Components
  • EY6A heavy chain
  • EY6A light chain
  • Nanobody
  • Spike protein S1
KeywordsVIRAL PROTEIN / EY6a / RBD / Spike glycoprotein / SARS-CoV-2 / human neutralizing antibody / IMMUNE SYSTEM
Function / homology
Function and homology information


symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion ...symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / membrane fusion / entry receptor-mediated virion attachment to host cell / Attachment and Entry / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / symbiont-mediated suppression of host innate immune response / receptor ligand activity / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / symbiont entry into host cell / 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 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, 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 superfamily, coronavirus / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Biological speciesSevere acute respiratory syndrome coronavirus 2
Lama glama (llama)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.65 Å
AuthorsZhou, D. / Zhao, Y. / Fry, E.E. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, China, 3items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 United Kingdom
Wellcome Trust101122/Z/13/Z United Kingdom
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 China
CitationJournal: Nat Struct Mol Biol / Year: 2020
Title: Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Authors: Daming Zhou / Helen M E Duyvesteyn / Cheng-Pin Chen / Chung-Guei Huang / Ting-Hua Chen / Shin-Ru Shih / Yi-Chun Lin / Chien-Yu Cheng / Shu-Hsing Cheng / Yhu-Chering Huang / Tzou-Yien Lin / ...Authors: Daming Zhou / Helen M E Duyvesteyn / Cheng-Pin Chen / Chung-Guei Huang / Ting-Hua Chen / Shin-Ru Shih / Yi-Chun Lin / Chien-Yu Cheng / Shu-Hsing Cheng / Yhu-Chering Huang / Tzou-Yien Lin / Che Ma / Jiandong Huo / Loic Carrique / Tomas Malinauskas / Reinis R Ruza / Pranav N M Shah / Tiong Kit Tan / Pramila Rijal / Robert F Donat / Kerry Godwin / Karen R Buttigieg / Julia A Tree / Julika Radecke / Neil G Paterson / Piyada Supasa / Juthathip Mongkolsapaya / Gavin R Screaton / Miles W Carroll / Javier Gilbert-Jaramillo / Michael L Knight / William James / Raymond J Owens / James H Naismith / Alain R Townsend / Elizabeth E Fry / Yuguang Zhao / Jingshan Ren / David I Stuart / Kuan-Ying A Huang /
Abstract: The COVID-19 pandemic has had an unprecedented health and economic impact and there are currently no approved therapies. We have isolated an antibody, EY6A, from an individual convalescing from COVID- ...The COVID-19 pandemic has had an unprecedented health and economic impact and there are currently no approved therapies. We have isolated an antibody, EY6A, from an individual convalescing from COVID-19 and have shown that it neutralizes SARS-CoV-2 and cross-reacts with SARS-CoV-1. EY6A Fab binds the receptor binding domain (RBD) of the viral spike glycoprotein tightly (K of 2 nM), and a 2.6-Å-resolution crystal structure of an RBD-EY6A Fab complex identifies the highly conserved epitope, away from the ACE2 receptor binding site. Residues within this footprint are key to stabilizing the pre-fusion spike. Cryo-EM analyses of the pre-fusion spike incubated with EY6A Fab reveal a complex of the intact spike trimer with three Fabs bound and two further multimeric forms comprising the destabilized spike attached to Fab. EY6A binds what is probably a major neutralizing epitope, making it a candidate therapeutic for COVID-19.
History
DepositionJun 12, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 24, 2020Provider: repository / Type: Initial release
Revision 1.1Jul 29, 2020Group: Data collection / Derived calculations / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.name / _entity.pdbx_description ..._chem_comp.name / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_role
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.2Aug 12, 2020Group: Database references / Structure summary / Category: chem_comp / citation / citation_author
Item: _chem_comp.pdbx_synonyms / _citation.country ..._chem_comp.pdbx_synonyms / _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3Oct 21, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.4Feb 10, 2021Group: Database references / Category: citation_author / Item: _citation_author.identifier_ORCID
Revision 1.5Dec 22, 2021Group: Database references / Source and taxonomy / Structure summary
Category: database_2 / entity ...database_2 / entity / entity_name_com / entity_src_gen / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _entity_src_gen.gene_src_common_name / _struct_ref.pdbx_seq_one_letter_code / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_auth_seq_align_end / _struct_ref_seq.seq_align_end
Revision 1.6Jan 24, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.7Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
E: Spike protein S1
F: Nanobody
H: EY6A heavy chain
L: EY6A light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)87,95011
Polymers87,5274
Non-polymers4237
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7930 Å2
ΔGint-80 kcal/mol
Surface area33900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)177.867, 177.867, 87.715
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number146
Space group name H-MH3
Space group name HallR3
Symmetry operation#1: x,y,z
#2: -y,x-y,z
#3: -x+y,-x,z
#4: x+1/3,y+2/3,z+2/3
#5: -y+1/3,x-y+2/3,z+2/3
#6: -x+y+1/3,-x+2/3,z+2/3
#7: x+2/3,y+1/3,z+1/3
#8: -y+2/3,x-y+1/3,z+1/3
#9: -x+y+2/3,-x+1/3,z+1/3

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Components

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Antibody , 3 types, 3 molecules FHL

#2: Antibody Nanobody


Mass: 16714.473 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#3: Antibody EY6A 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)
#4: Antibody EY6A 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)

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Protein / Sugars , 2 types, 2 molecules E

#1: Protein Spike protein S1


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
#5: 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: isolated from a genetically manipulated source
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 , 2 types, 6 molecules

#6: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#7: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg

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Details

Has ligand of interestN
Has protein modificationY

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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: 3.05 Å3/Da / Density % sol: 59.68 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 25 % (w/v) PEG 3350, 0.2 M NaCl, 0.1 M Tris pH 8.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 1, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.64→89 Å / Num. obs: 30147 / % possible obs: 99.2 % / Redundancy: 9.4 % / Biso Wilson estimate: 70.64 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.209 / Net I/σ(I): 5
Reflection shellResolution: 2.64→2.69 Å / Redundancy: 5.3 % / Num. unique obs: 1419 / CC1/2: 0.3 / % possible all: 93

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Processing

Software
NameVersionClassification
PHENIX1.18.1_3865refinement
PHENIX1.18.1_3865refinement
xia2data reduction
xia2data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6YLA

6yla


Resolution: 2.65→35.26 Å / SU ML: 0.4913 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 33.5005
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2595 1267 4.73 %
Rwork0.2146 25517 -
obs0.2167 26784 89.52 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 81.95 Å2
Refinement stepCycle: LAST / Resolution: 2.65→35.26 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5819 0 20 0 5839
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00165976
X-RAY DIFFRACTIONf_angle_d0.43548122
X-RAY DIFFRACTIONf_chiral_restr0.0401890
X-RAY DIFFRACTIONf_plane_restr0.00381039
X-RAY DIFFRACTIONf_dihedral_angle_d12.95572112
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.65-2.760.5185180.4111699X-RAY DIFFRACTION21.76
2.76-2.890.37551320.38192694X-RAY DIFFRACTION83.98
2.89-3.040.35851610.34263137X-RAY DIFFRACTION99.85
3.04-3.230.30911720.30283162X-RAY DIFFRACTION99.94
3.23-3.480.2961430.25373182X-RAY DIFFRACTION99.97
3.48-3.830.27031430.21983188X-RAY DIFFRACTION99.97
3.83-4.380.26521600.18483140X-RAY DIFFRACTION100
4.38-5.510.21861490.16263163X-RAY DIFFRACTION100
5.51-35.260.21871890.17973152X-RAY DIFFRACTION99.85
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)
12.70305317429-1.747357933671.254134466154.14405189722-0.3382199210232.398315636660.1000334182310.686095300994-0.700481852612-0.0315689694316-0.03652794439230.7171822117060.435138174546-0.012912491322-0.1302959384860.5361349416070.04032660679120.03169373028980.720957768973-0.1131338100341.42131828322-5.33761003079-43.18932946633.31966659921
24.76727958253-3.095793950110.296696529884.355338256490.1740234328793.065803090570.207187805120.401826020445-0.0933028545132-0.10878408448-0.2301327490260.03667211707810.01621810660960.1927585715760.02698817181450.3148069822240.02645704591580.0212736158350.5230646197140.002059260169020.845453350818-10.1234832261-25.77248692433.73160986101
33.825043999092.663111164051.666944944672.33334872279-0.2143786599725.994046734630.03098322022431.00272282972-0.195361990762-0.249773240214-0.3522736267730.285220194364-0.142550017245-0.730443464430.1883137856310.390147110509-0.00865851232009-0.09391278941110.7636738572710.03602993013770.590877957014-37.9947616386-9.23541479855-22.4844559785
45.670133311981.734745315651.511729723350.5590144453470.9327940180878.935648424610.164827407407-0.51611135823-2.393013379230.3102999652890.3897598383320.3686961295461.326490947310.0527293405663-0.5270068465390.631039144935-0.008679220463910.09075130361280.5171100507240.1727588762171.13410992371-30.9003647404-19.8020483346-15.3302737718
52.870605125390.167283368386-0.9525733303091.329529782030.5984040389223.563406007460.211611155116-0.07831008904220.0166601020861-0.223447544769-0.0833088646828-0.133441659251-0.03793150729890.1034889278820.1048921364140.460399784477-0.02349960678090.1326441412380.978570305110.424249776540.266978396623-27.5805058857-8.28907956072-18.1588527386
60.9845808340580.827157615022-1.176092039065.78521087497-3.02530904092.217591655510.03546941648980.32473978340.458201875074-0.707594226298-0.0888690823955-0.354234156607-0.2431762643720.403657660880.07967962482650.580719369989-0.0801623183406-0.01013505315560.901035125280.4430400163740.361557212955-25.2261262325-4.01252215271-18.4719442598
72.65346096544-3.002068257470.1258253990323.61934263116-0.8918996585285.74489299318-0.09869137508810.01847477124420.1642253962710.104643648795-0.0688257814930.6024992668890.110768305187-0.34015167390.3254725689560.33647509461-0.03681743759320.01710787349950.5788306284820.1098444071871.00081411028-33.0562668391-9.96061668028-10.0349943709
82.313494022762.892477768091.692627045837.40522624530.3317402723122.494206001660.35102403160.6806441684311.84013727186-1.102802920510.477308867031-0.329724641304-1.677756982680.891174432044-0.6774214982270.67322602335-0.0431849727970.1392910987660.661364675910.1862799352460.816268384677-37.35096297573.32304653167-20.0843606537
91.277367859470.7277033898790.0991902536871.051885813681.587109325154.04077982352-0.235838895927-0.0365637525683-0.142945768029-0.04250923200110.4788341286690.3015387933490.224299366215-0.410294309147-0.2844185404950.523699367176-0.008780012786730.03010662586990.7496501590720.1234622991360.248503236988-27.873171385-10.6833642575-20.667570386
101.69752964258-0.3030120113551.036418049521.81149332377-0.9063414134124.48306345942-0.2424626032920.8427901622430.445858231675-0.390106373362-0.0903703096397-0.1952537102960.1283768360471.190276105830.2883442439430.415921946816-0.007372697186420.01987644015650.6772823903910.1394650556660.731989684963-19.757962094-12.6324626956-12.9697932404
110.504447972033-0.106866391595-0.7074434973670.826619405859-0.01801603223991.351076731710.0221951746622-0.0928130148574-0.0445701862943-0.100803912314-0.0312589499433-0.0264614028787-0.1151859550090.0339063282313-0.281023058520.5856433706120.1656112440080.1928668794950.8354511200780.415326884903-0.259296179375-37.8976488184-2.62265980999-26.4048440819
124.652832674035.10523918448-4.781057244036.57824983421-5.642646846625.131912531790.226756981878-0.0785192556464-0.63140404538-0.416258830564-0.748928456455-0.9540909692460.5648453923060.7201445581360.7361279939640.4868670818420.140566539495-0.08474587097860.42101838007-0.1222289911561.0541399217329.9011726519-43.14527118043.50659202858
133.309771699540.656955077692-0.6433502499993.10880298288-0.5217806317623.38613466995-0.1121569294280.1186620434470.01743713066230.058053461252-0.01180077406790.1027926251770.1337726830850.1863583104420.110223311390.3357215600750.01948390609890.02822328672630.376205504825-0.02673316051760.69051631952918.8599063245-44.40213723365.99801772365
144.714416429512.15179350507-0.5818351728563.338159517921.853640005981.98145839949-0.1366076616090.2079251979230.610690193784-0.612660688155-0.08417973131950.422960473048-0.5029000866380.2610090633340.2204884461740.3569424635990.101845581159-0.07402185060640.365933021597-0.01269238621660.7569327616125.1799260203-35.79898691164.27889408458
153.5954750290.355974876117-0.3524256230122.194089611070.170337453781.06512149736-0.0483944242565-0.345089170341-0.2547351639360.3405104339220.027922927594-0.474043482851-0.0449593375490.209418151752-0.01684944064370.534561014492-0.00541135076304-0.1365425145680.3611606464680.07781996810750.69787449625632.3284333327-33.33710894412.3179204632
164.10270879948-0.5223222992460.9311205005222.803489345160.9054648071315.510037042920.05421672220820.03470460569140.01020568082110.2101015574050.381577592994-1.01075445010.7298430131780.755597261319-0.3801707436670.6182289342640.0661458361777-0.06705375365540.457702648674-0.09831492366571.139197023750.6165392265-25.798899156314.615732966
174.48728567470.928045693981-1.30352565690.43239503215-1.295217200784.5159477809-0.1045843543050.0981467996389-0.3445243955850.5728913724510.0180414639326-1.302919451760.1227592569960.8948473382510.1063746449090.5732897734460.0522022826399-0.2357819564890.560586186164-0.07813601948861.2471841117753.7414770889-22.499481669113.0695339431
183.22601783941-0.05936449264951.112090339233.26337922547-0.1797835009994.55661741295-0.0730188330317-0.3640992553150.5370417330670.4385458985810.0148632304170.327178229616-0.560298922343-0.134577627511-0.01983768753850.5072461227690.003000920612150.04640249917460.388760631787-0.009349783054360.70844177369718.1914842909-33.748730548326.6258502532
193.73624368687-0.9729600929291.958989666273.65710707632-2.127049063624.42868976674-0.0995842001159-0.314636048252-0.4372406451160.5735274231420.1314866020940.0121915129073-0.418948947184-0.1147691156120.05130767810060.6517775738790.04207664587240.009593875990990.380633043171-0.08563522108050.5891460202819.5020647199-33.505206839330.2048082183
201.91450973331.121079395130.1179444348454.121483887290.9486153751932.697593950530.343844629141-0.123747389877-0.07286064208380.797549173117-0.2427585997220.06797415534080.0927399081276-0.452995703862-0.1211459099780.5281458043410.0648904888342-0.01409185596130.4626685610050.00497493997270.89681575372223.6647852385-27.583629714724.4118878587
214.99895957603-0.530446460754-2.255814718344.59316709668-0.1577697822246.97384985933-0.3088423382560.2285467840090.1320155204470.02958385767960.316592714014-1.90711361182-4.33460119021E-50.9249418348620.08585547000710.700890702846-0.01958136072830.03736374186710.554014666928-0.1055179485491.5308770906752.675126346-11.157493417511.0398168695
222.028032050161.44967351982-1.709386178526.00882532968-4.685899541926.003120415980.05262346744870.07466371095580.1100189493060.05740249259440.2229870947470.4332283913960.233307354435-0.0331158559559-0.3489542783640.6081205574460.0719815214729-0.2358938624390.523786667536-0.08936044976291.2247760829640.3505510131-13.74799015519.387515447
236.64308265062.50718570622-5.003621963296.07436320131-3.588814968078.292872690490.0950458372780.1232721285380.7734554734260.664627842643-0.00917136634836-0.401297857025-0.2461201354250.153649863848-0.1785293135540.686155299542-0.0209659658819-0.1354491423320.3787446082690.04173973753661.0800210252545.88099234-2.8762153351916.9189604511
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'E' and (resid 333 through 393 )EA333 - 3931 - 61
22chain 'E' and (resid 394 through 527 )EA394 - 52762 - 195
33chain 'F' and (resid 2 through 17 )FC2 - 171 - 16
44chain 'F' and (resid 18 through 32 )FC18 - 3217 - 31
55chain 'F' and (resid 33 through 39 )FC33 - 3932 - 38
66chain 'F' and (resid 40 through 52 )FC40 - 5239 - 51
77chain 'F' and (resid 53 through 83 )FC53 - 8352 - 82
88chain 'F' and (resid 84 through 91 )FC84 - 9183 - 90
99chain 'F' and (resid 92 through 99 )FC92 - 9991 - 98
1010chain 'F' and (resid 100 through 120 )FC100 - 12099 - 119
1111chain 'F' and (resid 121 through 126 )FC121 - 126120 - 125
1212chain 'H' and (resid 1 through 23 )HD1 - 231 - 23
1313chain 'H' and (resid 24 through 83 )HD24 - 8324 - 83
1414chain 'H' and (resid 84 through 98 )HD84 - 9884 - 98
1515chain 'H' and (resid 99 through 143 )HD99 - 14399 - 138
1616chain 'H' and (resid 144 through 173 )HD144 - 173139 - 168
1717chain 'H' and (resid 174 through 224 )HD174 - 224169 - 219
1818chain 'L' and (resid 1 through 61 )LE1 - 611 - 61
1919chain 'L' and (resid 62 through 90 )LE62 - 9062 - 90
2020chain 'L' and (resid 91 through 114 )LE91 - 11491 - 114
2121chain 'L' and (resid 115 through 129 )LE115 - 129115 - 129
2222chain 'L' and (resid 130 through 183 )LE130 - 183130 - 183
2323chain 'L' and (resid 184 through 215 )LE184 - 215184 - 215

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