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- PDB-7or9: Crystal structure of the receptor binding domain of SARS-CoV-2 Sp... -

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Basic information

Entry
Database: PDB / ID: 7or9
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs
Components
  • (COVOX-222 Fab ...) x 2
  • (COVOX-278 Fab ...) x 2
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 B.1.1.7 variant / B.1.351 variant / P.1 variant / B.1.617 variant / antibody / receptor-binding-domain / spike / neutralisation / VIRAL PROTEIN/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 / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / membrane fusion ...symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / membrane fusion / Attachment and Entry / entry receptor-mediated virion attachment to host cell / 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 / endocytosis involved in viral entry into host cell / receptor ligand activity / 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 / host cell plasma membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / 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. / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal ...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. / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / 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 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
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.34 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.I.
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
CitationJournal: Cell / Year: 2021
Title: Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Authors: Liu, C. / Ginn, H.M. / Dejnirattisai, W. / Supasa, P. / Wang, B. / Tuekprakhon, A. / Nutalai, R. / Zhou, D. / Mentzer, A.J. / Zhao, Y. / Duyvesteyn, H.M.E. / Lopez-Camacho, C. / Slon-Campos, ...Authors: Liu, C. / Ginn, H.M. / Dejnirattisai, W. / Supasa, P. / Wang, B. / Tuekprakhon, A. / Nutalai, R. / Zhou, D. / Mentzer, A.J. / Zhao, Y. / Duyvesteyn, H.M.E. / Lopez-Camacho, C. / Slon-Campos, J. / Walter, T.S. / Skelly, D. / Johnson, S.A. / Ritter, T.G. / Mason, C. / Costa Clemens, S.A. / Gomes Naveca, F. / Nascimento, V. / Nascimento, F. / Fernandes da Costa, C. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Dold, C. / Temperton, N. / 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. / Malik, T. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Baillie, V. / Serafin, N. / Ditse, Z. / Da Silva, K. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Madhi, S. / Nunes, M.C. / Goulder, P. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
History
DepositionJun 4, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 7, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 21, 2021Group: Database references / Category: citation / citation_author
Item: _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Aug 18, 2021Group: Database references / Category: citation / database_2
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Nov 13, 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
A: COVOX-222 Fab heavy chain
B: COVOX-222 Fab light chain
H: COVOX-278 Fab heavy chain
L: COVOX-278 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,69413
Polymers117,6035
Non-polymers1,0918
Water2,684149
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12430 Å2
ΔGint-80 kcal/mol
Surface area45250 Å2
MethodPISA
Unit cell
Length a, b, c (Å)70.730, 114.470, 177.930
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 ABHL

#2: 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)
#3: 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)
#4: Antibody COVOX-278 Fab heavy chain


Mass: 24362.357 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-278 Fab light chain


Mass: 23300.865 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 / RBD of 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
#6: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE

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Non-polymers , 4 types, 156 molecules

#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#9: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 149 / Source method: isolated from a natural source / Formula: H2O

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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: 3.06 Å3/Da / Density % sol: 59.84 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.1 M amino acids (Glu, Ala, Gly, Lys, Ser), 0.1 M MES/imidazole pH 6.5, 10% (w/v) PEG 20000 and 20% (v/v) PEG MME 550.

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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 EIGER2 X 16M / Detector: PIXEL / Date: Feb 23, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.34→70 Å / Num. obs: 53251 / % possible obs: 86.2 % / Redundancy: 11.6 % / Biso Wilson estimate: 52.9 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.1 / Rpim(I) all: 0.03 / Net I/σ(I): 16.8
Reflection shellResolution: 2.34→2.38 Å / Mean I/σ(I) obs: 0.8 / Num. unique obs: 1437 / CC1/2: 0.348

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Processing

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

7nx6


Resolution: 2.34→57.23 Å / SU ML: 0.3107 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.5418
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2296 2653 4.99 %
Rwork0.1935 50501 -
obs0.1953 53154 86.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 61.39 Å2
Refinement stepCycle: LAST / Resolution: 2.34→57.23 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8047 0 67 149 8263
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00228321
X-RAY DIFFRACTIONf_angle_d0.540611319
X-RAY DIFFRACTIONf_chiral_restr0.04251270
X-RAY DIFFRACTIONf_plane_restr0.00451450
X-RAY DIFFRACTIONf_dihedral_angle_d11.4942981
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.34-2.380.3884750.37721429X-RAY DIFFRACTION47.24
2.38-2.430.3884850.35181547X-RAY DIFFRACTION50.98
2.43-2.480.422850.31611728X-RAY DIFFRACTION56.87
2.48-2.530.35811060.32511877X-RAY DIFFRACTION61.24
2.53-2.590.30631190.28212043X-RAY DIFFRACTION67.52
2.59-2.660.3377960.27052280X-RAY DIFFRACTION74.3
2.66-2.730.3351240.25922497X-RAY DIFFRACTION81.15
2.73-2.810.29621500.25892897X-RAY DIFFRACTION94.69
2.81-2.90.26651610.25442994X-RAY DIFFRACTION98.56
2.9-30.28911580.25673064X-RAY DIFFRACTION99.72
3-3.120.28731520.24893085X-RAY DIFFRACTION100
3.12-3.260.2681930.23543049X-RAY DIFFRACTION99.97
3.26-3.440.24831560.22083085X-RAY DIFFRACTION99.97
3.44-3.650.27491500.19813101X-RAY DIFFRACTION100
3.65-3.930.25361600.18793126X-RAY DIFFRACTION100
3.93-4.330.20711570.15213100X-RAY DIFFRACTION100
4.33-4.950.15771700.13063134X-RAY DIFFRACTION100
4.96-6.240.18721830.15263148X-RAY DIFFRACTION100
6.24-57.230.16871730.16353317X-RAY DIFFRACTION99.71
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)
13.333959064021.12692645327-1.061687813283.51941129016-0.52592544269.2200263501-0.05925491672020.6941783827880.460587788313-0.6421712996150.06404752718780.872539474143-0.33610471923-0.9757315348540.1221379102510.461626153320.0413666162612-0.1564625008520.5548022695810.1060233578130.614776115393-34.2600509973.53443902657-71.2043547615
21.972922625130.0240666535767-0.1875960136051.937855835830.1005256637861.817726644930.07093887453490.08088026620550.089087404639-0.2394478464930.02478576579320.163963437983-0.076374254147-0.0544742812238-0.101523484790.314579854138-0.0297650756620.007672069401460.277515681790.05752413826170.380846391901-20.82909719264.45286945397-60.8527531562
32.543044508591.028133563331.804018988563.29390247668-0.02661882939024.938627537880.008940639123650.8404910300450.113718073688-1.01171807599-0.01003384774980.1977529560280.01855942331910.141896068268-0.001299891613080.595900732240.0655615540846-0.05433736450120.5745663801860.1152815872870.540953398301-28.4151448123.03835558964-77.6384950033
45.323526706075.40791501598-4.650714405455.64737148847-5.494562420148.450440377440.1922862313510.0547643608314-0.3506791020030.478664520324-0.111658091904-0.77476249259-0.4717480486220.6853970455580.2115888904510.343935850031-0.03108080060970.05027908237190.428253853296-0.04715743891880.50654022575610.923721781614.9973189271-47.4405226379
51.48495255360.7040831863230.3075091064392.428389351340.2483125519432.181309752590.0923100406507-0.02116722362930.0476378738134-0.251160260214-0.113524803214-0.186511114412-0.03753394263430.1551935361140.00373572476570.319149765286-0.02710321443620.0643223173280.3219323462320.03663783540620.3840053019121.4272515850512.2084497427-52.7923496723
67.921240057955.94112300919-3.391951094195.24609623096-4.2234251676.59997930020.3032954535590.1180094380650.3606014953830.2425206860680.08213711735610.527968498435-0.65703453939-0.181069680186-0.410545681850.29402849557-0.005751112381230.05984324557880.2557831194030.01581333054580.4559721434314.5874986750320.4328259365-49.3663212563
71.713043710120.5007091119481.668516184451.631559949391.543270295931.880807710140.0195315184167-0.1541757213070.05539311065630.2291450833050.0195913600838-0.08742459154260.0417286543007-0.227332071245-0.04218031110640.43286535391-0.009211680876720.01409913472050.372935566441-0.01520710750750.47757912296212.263398095820.9528480834-35.3480113948
83.112910525620.822588089847-0.8003672689293.99199431565-1.042799703735.87845321372-0.0359878800329-0.250558222769-0.5724596670860.5641912469670.0287168384429-0.4201753414040.8298110710490.185874722421-0.0232211836690.601836713419-0.0143665119572-0.05939662146080.327254971484-0.002528163669850.65555367282820.474267588721.2170420943-26.5124931782
97.96911252305-2.30849735273.637745713717.78430820301-4.072277784422.945161927510.5125104330650.06176828063950.124064760411-0.13449678171-0.1736727893750.849301399851-0.676088623419-1.32485418553-0.1946883424130.5176301942070.05613003376170.09993466566010.649410541477-0.120899929780.594592972065-14.122999992825.0736819638-31.3399009158
106.734584419273.160009806785.355857092585.545665547763.451731436358.92266663988-0.898703200067-0.1730378494031.00829723106-0.736568268754-0.8588021907121.53434025716-1.61953712558-1.335740165571.311441407640.6101775281020.215793600039-0.06954547621360.782124619093-0.1974604260110.803936415352-20.538071079422.401607945-39.3514311908
115.007732831371.750953545942.736021948344.681221337552.758076430136.59647867326-0.0448475458845-0.4641389889710.4042185808130.339201990233-0.3269322309390.41354809673-0.00231088395508-0.8867832456830.334916746910.455517781718-0.06389873774290.1170009296660.543867276757-0.05483801866670.519004449335-13.155002531413.6648561907-34.1767621755
121.506473745451.549495622071.310906639953.007680988322.805435113392.581383967830.367360394718-0.527908170640.201140157160.218031209801-0.0667647233860.215472987777-0.17198150628-0.492602593668-0.3588358820440.402334387675-0.06313727924160.1025907000840.543197823425-0.05697206753850.614460475092-10.085375554518.1512223843-36.0526548375
132.876400654082.729128521971.853242332362.925477520022.307529328691.776512157820.273038915066-0.522988716353-0.2800577751690.299438218966-0.4117149365650.06086961722730.272626198813-0.396564330330.1899551957520.583024782771-0.05037879311880.08324828712120.43303876593-0.002578742331690.503627094585.389251220129.1375570455-19.6831079996
147.344733154274.01576404641-1.924305781924.59249470930.5239898195073.25078117878-0.190963904564-0.0504038825215-0.4227810656180.006429162347140.033326759884-0.1404049040840.2070923634190.08302038873640.1312887697820.43669773582-0.0116287122132-0.07210697234480.335601067490.01597223541850.33730320216817.610152305437.3432002688-20.7059986553
158.894584715145.96829588109-3.50844337324.1905833154-3.365280817966.52374374286-0.2029557951070.204357445571-0.103171670930.3662443299880.1478376251450.3021678812450.744429150019-0.332121760040.1131911950070.590838850196-0.05723742338260.03502096746710.371556878254-0.0009036973759060.4980298055037.2205490097529.8528262838-23.456006796
168.870782701713.58704105467-3.489181356013.77216914053-0.565662237354.338377908330.207666863115-0.6851777700770.3475161139120.377349255343-0.154754860675-0.11870890160.00560236718620.299044662983-0.04430018753410.4775699506310.047265340728-0.09908641224780.355158122077-0.02575236107550.47421325351220.738370894940.4044274034-17.007605011
173.139397039411.67635502965-1.729956229862.72003335355-1.208556887166.607280012620.0694202778673-0.623972539998-0.2629659416230.274401265376-0.403600846804-0.2238095688650.007465500541330.4281899118430.2877273625240.241618337164-0.0196081079152-0.039842480410.4901803162820.1204981634590.477894921815-34.2900133966-8.22153231967-32.2505184926
184.230001339831.578663365640.779052280654.143263683641.477297729597.481004622910.107066299298-0.453146310073-0.2849827518310.479936520027-0.09677064044410.142276192550.2348099972870.251570220064-0.02305416159410.43333685434-0.009852284690820.04534596215520.4045348683420.008291424735910.413877015004-63.917409922-23.2346112657-16.1979204801
197.425745684031.64198486769-1.097950687792.54368157871-0.4963630240771.25161194190.1673430989110.1094659956940.206238984385-0.104931723691-0.152873798490.1571968653470.0524363798418-0.323788327138-0.06557024313680.362723844705-0.016610454469-0.05155358648150.3899103686850.02596601552040.442837383231-56.8111094024-4.02790772095-45.7229464912
205.144396903781.06821029617-0.5705491237923.132613751620.5331585894492.51140794434-0.07678066222710.0696113536638-0.0982057110582-0.279420830932-0.01484158744370.093506311168-0.0513776723234-0.08044983134810.1126482791220.2982419510470.0271073609019-0.01428634274840.2867614832130.01041057817320.314448334901-47.436312812-5.47506698533-49.4149861695
211.839384786640.595093021895-1.561314996070.826800806876-1.26085185862.001760390590.0519232022095-0.1382457978350.0152778197540.187445825939-0.05792861917030.1115813718770.00403859987585-0.2217684923240.08384757007910.312838936177-0.01681175440250.02028702733080.379006105684-0.02898484243230.369067473028-59.2722736512-10.5277175996-33.8707983737
221.45353147003-0.131162747731-1.440292682473.006955631621.44724631386.408534563410.1739046833620.004942593482880.4460699156750.275238634558-0.1016964871480.217358790517-0.8889157962290.00463146565469-0.1335347406920.587837019308-0.05097680281820.08618546758680.4622000875750.006230806542770.591247491322-70.2212292915-7.194993551-23.487266507
239.76238005825-6.64971183209-6.918997425274.53738126234.620094359257.28963847292-0.5044125245070.149978015006-0.591883333335-0.5382296179540.3178957990620.5228035536740.5894095152540.236498537520.02721375336130.528953311518-0.103994337836-0.007603939312050.538960846118-0.01346537118190.517935145185-65.6146949983-20.0015267288-35.9218049488
241.99163146245-0.550345933853-0.1887000979862.676702742092.584721143486.250165047360.0715485269236-0.1078057640120.2246112847630.139646754553-0.1944572188280.1202558052-1.0314803745-0.8779209933250.02440489603950.6116431050790.09645075370450.1830856533620.570832615174-0.03574155504820.559620143393-75.6366772-6.87203675107-17.5523755248
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 375 )EA333 - 3751 - 43
22chain 'E' and (resid 376 through 506 )EA376 - 50644 - 174
33chain 'E' and (resid 507 through 527 )EA507 - 527175 - 195
44chain 'A' and (resid 1 through 17 )AF1 - 171 - 17
55chain 'A' and (resid 18 through 82 )AF18 - 8218 - 82
66chain 'A' and (resid 83 through 97 )AF83 - 9783 - 97
77chain 'A' and (resid 98 through 151 )AF98 - 15198 - 146
88chain 'A' and (resid 152 through 220 )AF152 - 220147 - 215
99chain 'B' and (resid 1 through 18 )BG1 - 181 - 18
1010chain 'B' and (resid 19 through 30 )BG19 - 3019 - 30
1111chain 'B' and (resid 31 through 76 )BG31 - 7631 - 76
1212chain 'B' and (resid 77 through 98 )BG77 - 9877 - 98
1313chain 'B' and (resid 99 through 121 )BG99 - 12199 - 121
1414chain 'B' and (resid 122 through 155 )BG122 - 155122 - 155
1515chain 'B' and (resid 156 through 174 )BG156 - 174156 - 174
1616chain 'B' and (resid 175 through 213 )BG175 - 213175 - 213
1717chain 'H' and (resid 1 through 121 )HM1 - 1211 - 121
1818chain 'H' and (resid 122 through 225 )HM122 - 225122 - 220
1919chain 'L' and (resid 1 through 18 )LO1 - 181 - 18
2020chain 'L' and (resid 19 through 75 )LO19 - 7519 - 75
2121chain 'L' and (resid 76 through 129 )LO76 - 12976 - 129
2222chain 'L' and (resid 130 through 164 )LO130 - 164130 - 164
2323chain 'L' and (resid 165 through 175 )LO165 - 175165 - 175
2424chain 'L' and (resid 176 through 214 )LO176 - 214176 - 214

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