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- PDB-7ps2: Crystal structure of the receptor binding domain of SARS-CoV-2 be... -

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Basic information

Entry
Database: PDB / ID: 7ps2
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-29 and Beta-53 Fabs
Components
  • Beta-29 Fab heavy chain
  • Beta-29 Fab light chain
  • Beta-53 Fab light chain
  • Beta-53 heavy 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


symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / viral translation / 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 / host extracellular space / viral translation / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell / membrane fusion / 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
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: 2.99 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: Database references / Source and taxonomy / Structure summary
Category: entity / entity_src_gen ...entity / entity_src_gen / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _entity.pdbx_description / _entity_src_gen.gene_src_common_name ..._entity.pdbx_description / _entity_src_gen.gene_src_common_name / _entity_src_gen.pdbx_gene_src_gene / _struct_ref.db_code / _struct_ref.pdbx_align_begin / _struct_ref.pdbx_db_accession / _struct_ref.pdbx_seq_one_letter_code / _struct_ref_seq.db_align_beg / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_db_accession
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
Revision 1.5Oct 23, 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
B: Beta-29 Fab light chain
G: Spike protein S1
A: Beta-29 Fab heavy chain
H: Beta-53 heavy chain
L: Beta-53 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)122,74023
Polymers120,3725
Non-polymers2,36818
Water00
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15260 Å2
ΔGint-187 kcal/mol
Surface area47900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)213.397, 213.397, 226.792
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number155
Space group name H-MH32
Space group name HallR32"
Symmetry operation#1: x,y,z
#2: -y,x-y,z
#3: -x+y,-x,z
#4: x-y,-y,-z
#5: -x,-x+y,-z
#6: y,x,-z
#7: x+1/3,y+2/3,z+2/3
#8: -y+1/3,x-y+2/3,z+2/3
#9: -x+y+1/3,-x+2/3,z+2/3
#10: x-y+1/3,-y+2/3,-z+2/3
#11: -x+1/3,-x+y+2/3,-z+2/3
#12: y+1/3,x+2/3,-z+2/3
#13: x+2/3,y+1/3,z+1/3
#14: -y+2/3,x-y+1/3,z+1/3
#15: -x+y+2/3,-x+1/3,z+1/3
#16: x-y+2/3,-y+1/3,-z+1/3
#17: -x+2/3,-x+y+1/3,-z+1/3
#18: y+2/3,x+1/3,-z+1/3

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Components

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Antibody , 4 types, 4 molecules BAHL

#1: Antibody Beta-29 Fab light chain


Mass: 24309.879 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-29 Fab heavy chain


Mass: 24706.752 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-53 heavy chain


Mass: 24215.135 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-53 Fab light chain


Mass: 23493.967 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 G

#2: 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 beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...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: 732.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE

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Non-polymers , 3 types, 17 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-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: SO4
#9: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H10O3

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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: 4.22 Å3/Da / Density % sol: 70.85 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.1 M Sodium chloride, 0.1 M BIS-TRIS pH 6.5 and 1.5 M Ammonium sulfate.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97623 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Aug 11, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97623 Å / Relative weight: 1
ReflectionResolution: 2.99→50 Å / Num. obs: 40130 / % possible obs: 99.9 % / Redundancy: 38.4 % / Biso Wilson estimate: 103.53 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.293 / Rpim(I) all: 0.048 / Net I/σ(I): 8.5
Reflection shellResolution: 2.99→3.04 Å / Mean I/σ(I) obs: 0.3 / Num. unique obs: 1951 / CC1/2: 0.429 / Rpim(I) all: 0.885 / % possible all: 98.5

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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: 7BEP

7bep


Resolution: 2.99→48.33 Å / SU ML: 0.6261 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 33.2638
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2661 2010 5.02 %
Rwork0.2331 38058 -
obs0.2348 40068 99.78 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 147.09 Å2
Refinement stepCycle: LAST / Resolution: 2.99→48.33 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8280 0 138 0 8418
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00318620
X-RAY DIFFRACTIONf_angle_d0.604111739
X-RAY DIFFRACTIONf_chiral_restr0.04331306
X-RAY DIFFRACTIONf_plane_restr0.00441491
X-RAY DIFFRACTIONf_dihedral_angle_d12.15213075
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.99-3.070.4331490.41892637X-RAY DIFFRACTION98.17
3.07-3.150.43411320.38752717X-RAY DIFFRACTION99.79
3.15-3.240.39771360.35562685X-RAY DIFFRACTION99.86
3.24-3.350.31061450.32462701X-RAY DIFFRACTION99.82
3.35-3.460.39031470.31422684X-RAY DIFFRACTION99.93
3.46-3.60.32491480.27512706X-RAY DIFFRACTION99.93
3.6-3.770.27611400.25452701X-RAY DIFFRACTION99.89
3.77-3.970.32271310.23722723X-RAY DIFFRACTION99.96
3.97-4.210.26151360.2292727X-RAY DIFFRACTION100
4.21-4.540.22281370.19972749X-RAY DIFFRACTION100
4.54-50.22221230.1892747X-RAY DIFFRACTION100
5-5.720.24621610.2052712X-RAY DIFFRACTION100
5.72-7.20.24021490.23892759X-RAY DIFFRACTION99.97
7.2-48.330.23551760.19662810X-RAY DIFFRACTION99.6
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)
13.508130736243.606143313830.5433639011265.324078593880.7866080207530.05389320532470.5937522482421.76796903878-1.34271843202-0.9533858661040.148069285509-1.393017654713.568217073872.3100549241-0.6805747599133.332955051961.11932947504-0.380146160232.20394800334-0.3534812560031.7172894394225.966208389553.743847148717.1156267718
20.0826459458954-0.0305864844621-0.4419910813370.06572514725420.2688613807620.948168877139-0.110167536845-0.563158113542-0.844399868425-3.68067471389-0.8289154668670.6682249262862.495084709860.9500024857590.9310365199612.949407698720.935509180775-0.5400311867671.23421033292-0.5624121607222.9740428050531.402486886845.160936057515.589824781
32.945190455540.6455116082281.397384800752.59817322882-1.436027235392.320329132550.1449979231770.409631306965-1.25165148088-0.5016083197410.04465799957040.4617267047131.526360766910.0222696078748-0.2581121328971.84560859954-0.01453011071810.05768967244470.895689439338-0.2454156213811.32536515111-2.2819362286168.3189284879.00270369683
42.67110626721-0.7268897535250.3001151149681.83556387602-1.744567156981.411390652210.864128819764-0.755292591535-1.444183316640.3175215797850.03576041120030.3743301284240.3662509054550.19208483189-0.7713444288823.71596849030.408938055915-0.6259044027291.40393242803-0.1481424612632.2266228649615.351659073846.083349291725.9900248392
54.74746122498-0.4339452656411.684044622624.76348308088-0.2463127684144.89397383570.12134229412-0.03729294982040.106402702966-0.259879484711-0.07143363737070.1037717230990.30225773021-0.313868528924-0.05911194382780.638347793561-0.2635836442960.03179698320641.01611788855-0.001699909417090.783273358269-44.6768727945105.24781833416.7739036696
68.36764579145.61961490832-5.568121608654.28779076579-4.337995184884.770017325430.321221885253-0.4960097485070.7469803338880.55425597157-0.1111197046040.673584912881-0.17382206968-0.237002927772-0.1041705595770.797827094319-0.02834942755180.02183439565071.01897538489-0.2083485283170.966002244879-42.6724626361105.59696143729.3746966216
73.284465994861.167304834010.2506166289830.5484351583360.1968140145820.212102734796-0.543941476418-0.550157593347-0.907242574188-0.3312883653630.779575057339-0.3149290397490.00406906200392-1.22626013484-0.2978632685661.08282396408-0.734457205596-0.1387896387791.940108541170.1503567366351.40904083057-69.773526923383.109733283816.1675324469
81.869622106530.21628033314-1.415011480872.3537975186-2.078418170874.100149140281.039757633-0.910583036152-0.06918701048221.07586917832-0.9855979825310.682214751358-0.8624266966990.4227667063250.02600478134431.61940773557-0.5110821569740.08761260942172.10093195848-0.1638004031741.55218070989-75.0754547186.982082161620.0431252362
91.18573521391-1.430998728560.979236244314.6120180837-0.6135421830080.985478879664-0.15905667272-0.616006358348-0.7299592878170.2619496316650.1176038177630.1171361321830.42956090562-0.9639868304670.294005823381.32321680698-0.891812717362-0.295192645752.06340960388-0.02026536862591.54559384838-70.040728471183.378440761521.6094807137
100.0540557374105-0.0735116605-0.175516316280.07941111947490.08904488852870.1939413098770.799374636404-0.5473593311040.7371010810260.9049802984120.1027871776151.632547792030.361343904394-0.489879285711-1.066581393991.57255718868-0.8382444982280.06022250935352.174434255830.1663453160141.92990573683-82.565259932884.098030283717.9198013493
113.10724424533-0.4593799417760.8529288351712.17051399681.634663827732.39275425580.2964091910430.495567014452-0.307786810242-0.1884539282360.259424242850.373880522355-0.568894068431.07083405454-0.1816610940971.202144386480.209863306325-0.163573887280.447419716299-0.1115041047120.7496759499132.28080269974102.8223298464.89848042025
126.481168390461.18865555809-5.912824575985.503216061880.0959868803365.806903334121.17091204141-0.4841181758050.2587795953730.591517964544-0.47139284668-0.16226085253-1.142893363592.43938718876-0.472423954970.6760097317620.118839072612-0.05844884872020.862780219572-0.088967493880.706994803149-2.97616080514109.3027930168.23602962613
131.49884893046-0.567616003803-2.551337058283.65570910776-1.7401091856.13485272360.2521194146830.569702727567-0.311824751182-0.6716492196630.3468752061890.1899640050740.239010131478-0.957868131661-0.1382712868470.945607402022-0.173741794795-0.1211492757650.816527592753-0.07389029699840.763180729992-12.6808078934106.4413805222.52416073926
140.8406001685790.389856684711-0.8723399132950.691343255343-1.118213517174.50051333477-0.02491445520480.106090944261-0.180026024841-0.02348880240990.007865036550320.2226503726690.160018722796-0.456320098053-0.1460600565340.61654845605-0.0629433845167-0.05703412280880.621835190745-0.0328176414740.750336310925-15.6585041955105.92851262419.1404623807
152.627953097660.2627964469711.61069832950.7562805514270.3311515602140.8472014868430.370155573226-0.3470862165-0.3102530286380.00562997458545-0.255369701970.304422647480.917808740994-0.692795831287-0.1796612570091.20854769349-0.508220494979-0.04533111541841.26015288747-0.01200165284551.00299007527-47.464444401984.290957783427.6864636436
166.280331670084.745587776582.588631311043.506782701532.141166197411.53238364-0.4068789025020.230484441787-0.185540490287-0.3575225682090.226915518222-1.60950810556-0.839652468303-0.2989469459820.3390579852211.46790756284-0.39781650554-0.4138595809931.643444537720.141499940381.7290873431-70.654390014563.476967484416.6203527428
177.8800094999-1.482674087461.662186891694.76176257624-0.1534502142286.023463100410.08784031121340.0245503287187-0.408847687247-0.0317120575932-0.260604182358-0.2986223847140.7918080907360.274934273680.1811497844621.038830816950.2138349883340.02169200674630.629864254606-0.06183744739290.80103326476112.103515645485.029801001418.6351196017
180.8125615730880.28316833709-0.945520847582.315045191190.3937494744420.9137360303250.09218564508320.0400283504162-0.81678793259-0.0521588454443-0.355705236269-0.4537459380591.594558864950.117788257593-0.05931422657971.734367260740.3087567386450.1684316230870.961130559720.01516324096221.2132017469215.960648240771.657955114417.3758590952
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'H' and (resid 143 through 185 )HG143 - 185138 - 180
22chain 'H' and (resid 186 through 224 )HG186 - 224181 - 219
33chain 'L' and (resid 1 through 114 )LH1 - 1141 - 114
44chain 'L' and (resid 115 through 214 )LH115 - 214115 - 214
55chain 'B' and (resid 1 through 96 )BA1 - 961 - 96
66chain 'B' and (resid 97 through 108 )BA97 - 10897 - 108
77chain 'B' and (resid 109 through 135 )BA109 - 135109 - 135
88chain 'B' and (resid 136 through 162 )BA136 - 162136 - 162
99chain 'B' and (resid 163 through 195 )BA163 - 195163 - 195
1010chain 'B' and (resid 196 through 221 )BA196 - 221196 - 221
1111chain 'G' and (resid 329 through 349 )GC329 - 3491 - 21
1212chain 'G' and (resid 350 through 365 )GC350 - 36522 - 37
1313chain 'G' and (resid 366 through 409 )GC366 - 40938 - 81
1414chain 'G' and (resid 410 through 525 )GC410 - 52582 - 197
1515chain 'A' and (resid 1 through 217 )AF1 - 2171 - 212
1616chain 'A' and (resid 218 through 232 )AF218 - 232213 - 227
1717chain 'H' and (resid 2 through 83 )HG2 - 831 - 82
1818chain 'H' and (resid 84 through 142 )HG84 - 14283 - 137

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