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- PDB-8qrg: SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1 -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 8qrg
TitleSARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
Components
  • NbC1
  • Spike protein S1
  • XBB-2 heavy chain
  • XBB-2 light chain
KeywordsVIRAL PROTEIN / Viral protein/immune system / SARS-CoV-2 / RBD / XBB-6 / Beta-49 / BA.2.86 / XBB.1.5
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 / entry receptor-mediated virion attachment to host cell ...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 / entry receptor-mediated virion attachment to host cell / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / 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 / 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 speciesSevere acute respiratory syndrome coronavirus 2
Lama glama (llama)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 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 Rep Med / Year: 2024
Title: A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Authors: Chang Liu / Daming Zhou / Aiste Dijokaite-Guraliuc / Piyada Supasa / Helen M E Duyvesteyn / Helen M Ginn / Muneeswaran Selvaraj / Alexander J Mentzer / Raksha Das / Thushan I de Silva / ...Authors: Chang Liu / Daming Zhou / Aiste Dijokaite-Guraliuc / Piyada Supasa / Helen M E Duyvesteyn / Helen M Ginn / Muneeswaran Selvaraj / Alexander J Mentzer / Raksha Das / Thushan I de Silva / Thomas G Ritter / Megan Plowright / Thomas A H Newman / Lizzie Stafford / Barbara Kronsteiner / Nigel Temperton / Yuan Lui / Martin Fellermeyer / Philip Goulder / Paul Klenerman / Susanna J Dunachie / Michael I Barton / Mikhail A Kutuzov / Omer Dushek / / Elizabeth E Fry / Juthathip Mongkolsapaya / Jingshan Ren / David I Stuart / Gavin R Screaton /
Abstract: BA.2.86, a recently described sublineage of SARS-CoV-2 Omicron, contains many mutations in the spike gene. It appears to have originated from BA.2 and is distinct from the XBB variants responsible ...BA.2.86, a recently described sublineage of SARS-CoV-2 Omicron, contains many mutations in the spike gene. It appears to have originated from BA.2 and is distinct from the XBB variants responsible for many infections in 2023. The global spread and plethora of mutations in BA.2.86 has caused concern that it may possess greater immune-evasive potential, leading to a new wave of infection. Here, we examine the ability of BA.2.86 to evade the antibody response to infection using a panel of vaccinated or naturally infected sera and find that it shows marginally less immune evasion than XBB.1.5. We locate BA.2.86 in the antigenic landscape of recent variants and look at its ability to escape panels of potent monoclonal antibodies generated against contemporary SARS-CoV-2 infections. We demonstrate, and provide a structural explanation for, increased affinity of BA.2.86 to ACE2, which may increase transmissibility.
History
DepositionOct 7, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 8, 2024Provider: repository / Type: Initial release
Revision 1.1May 22, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jun 5, 2024Group: Database references / Category: citation / Item: _citation.journal_volume

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
E: Spike protein S1
A: NbC1
H: XBB-2 heavy chain
L: XBB-2 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)85,45911
Polymers84,6854
Non-polymers7747
Water3,369187
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9190 Å2
ΔGint-29 kcal/mol
Surface area32060 Å2
Unit cell
Length a, b, c (Å)81.514, 104.647, 110.014
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 , 3 types, 3 molecules AHL

#2: Antibody NbC1


Mass: 14659.114 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 XBB-2 heavy chain


Mass: 23750.648 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 XBB-2 light chain


Mass: 23339.766 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: 22935.734 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / 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, 193 molecules

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


Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C3H8O3
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 187 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.77 Å3/Da / Density % sol: 55.6 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 2% (v/v) 1,4-Dioxane, 0.1 M Tris pH 8.0 and 15% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97628 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Aug 8, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97628 Å / Relative weight: 1
ReflectionResolution: 2.3→110 Å / Num. obs: 38675 / % possible obs: 91.1 % / Redundancy: 10.5 % / Biso Wilson estimate: 45.07 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.088 / Rsym value: 0.026 / Net I/σ(I): 17.9
Reflection shellResolution: 2.3→2.34 Å / Rmerge(I) obs: 0.584 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 1109 / CC1/2: 0.743 / Rpim(I) all: 0.743

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Processing

Software
NameVersionClassification
GDA1.20.1_4487data collection
PHENIX1.20.1_4487refinement
xia2data reduction
xia2data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→48.69 Å / SU ML: 0.3038 / Cross valid method: FREE R-VALUE / σ(F): 1.39 / Phase error: 25.2582
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2278 1846 4.78 %
Rwork0.1824 36754 -
obs0.1846 38600 90.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 57.8 Å2
Refinement stepCycle: LAST / Resolution: 2.3→48.69 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5744 0 50 187 5981
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00475934
X-RAY DIFFRACTIONf_angle_d0.68638060
X-RAY DIFFRACTIONf_chiral_restr0.0467881
X-RAY DIFFRACTIONf_plane_restr0.00591042
X-RAY DIFFRACTIONf_dihedral_angle_d12.18582127
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3-2.360.3418880.25341674X-RAY DIFFRACTION54.64
2.36-2.430.3196800.26082022X-RAY DIFFRACTION66.04
2.43-2.510.32081130.25582390X-RAY DIFFRACTION77.56
2.51-2.60.28381320.24912687X-RAY DIFFRACTION87.74
2.6-2.710.34241300.25482977X-RAY DIFFRACTION95.75
2.71-2.830.29221540.22353076X-RAY DIFFRACTION99.57
2.83-2.980.2711730.21133063X-RAY DIFFRACTION100
2.98-3.160.26161730.21353074X-RAY DIFFRACTION100
3.16-3.410.28411470.21133091X-RAY DIFFRACTION100
3.41-3.750.22041730.17543096X-RAY DIFFRACTION100
3.75-4.290.18721480.15263152X-RAY DIFFRACTION100
4.3-5.410.16021460.12993174X-RAY DIFFRACTION100
5.41-48.690.19871890.16543278X-RAY DIFFRACTION99.83
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)
10.347600790014-0.89857583414-0.873509110524.6024528776-0.09217525717657.697589844940.2157907339241.50680421311-0.0849785328438-1.80990420069-0.1192189272920.699610130198-0.122479101521-0.07045081187010.2567968609991.076895748030.251062701252-0.1329576160510.9285724434790.01595789839240.53206092837133.73182403882.90868497318-17.4921636782
24.207342939230.4600602841360.6216501203782.09555345396-0.1978666262851.280034906770.1863060048510.963384707603-0.415711273223-0.708568384323-0.0003121360836560.5083298884750.363429472295-0.0276470797201-0.08221033497480.6441431590010.0501044628633-0.1960591603650.539666065232-0.1084702661010.43574001822427.3180746761-2.11175337807-10.1337960469
32.72447778792-0.07953266619960.7159908572573.73460009305-0.1616562627473.472363414040.142525362330.326385185254-0.143392337673-0.49409661409-0.1371322567760.2171515004580.1130879168630.105779744433-0.0115357031620.3091414233070.0492271948691-0.05935200501310.2450988990050.006598683279320.23863531816135.88513385432.131188124370.695808017985
42.14842318433-0.409392787550.9468269049942.401034553841.042157334893.930536329520.02428947812150.2353882801120.159922157622-0.08354330327-0.124872959163-0.0521335316857-0.1448642583910.4056017294120.04770675354290.300671891976-0.001913386743880.02384822100310.2494262321760.0639539069320.26579439381941.80749939495.503357257674.85147249015
52.89536013736-0.4147091083192.197339740866.46793701591-0.7169969913841.66348224390.298955164618-0.29264708792-1.328673734160.127564071420.530284460901-0.4781587563140.2075971824590.495191979659-0.6210588333081.03619382966-0.134729180571-0.06651816937410.698351830760.001706660690371.3201799520727.9138750867-34.6396060488-3.05268677463
61.229202214-0.333035673734-1.170508668684.80227599396-0.9568872702184.788993390010.2574266113450.2765582969420.2659703779471.078318791920.789737713278-0.1261715036781.1505351068-0.583602064112-0.05912647129541.04780870159-0.181092896146-0.1348578384630.519627705929-0.1144638988730.91973766757922.9437375396-31.5597564934-4.53529659937
70.639541930821-0.146650813889-0.9201205839444.67859272657-0.4294323985644.42469513308-0.442934798747-0.3584952173380.7975190498311.251332181010.182287376147-1.562253995540.6070361735310.0122724717469-0.05448712810990.728446212595-0.0188334437932-0.1354810923740.4258080587640.05226388646411.3376883276127.7000384609-21.9806584776-1.89013330526
84.524821583250.978949629216-3.531475097125.195281977650.8865685611246.09353460084-1.348056869430.228349576373-0.397328694529-0.5077112854780.3352544467690.0451847983060.616921128375-0.6137834480520.867232461330.8981733183520.0513323155617-0.1756265722320.491125181018-0.2103344550871.1584556543327.1983812979-20.1850578595-9.56222188855
92.538977781380.6896497480921.50699855581.61927118551-1.042516222492.27426605752-0.2491935213070.595063705644-0.94927984576-0.3486466691950.133301465302-0.01256427865940.373550510743-0.04162261970920.1576223329650.794956030259-0.0609327596747-0.04859716409050.573739239423-0.2574095455250.99301846182325.2929619491-27.9184745348-11.6312698195
100.13055260338-0.2316375068070.4095123239796.985879482290.3096335960524.203452889780.618194890960.19690317513-0.890519368531-0.3954372845840.930431687212-0.4305785376470.1286547142771.30691717375-1.177617491880.9231249579820.0129131413307-0.1543066570920.920750798972-0.3997550814151.4719881416135.0064446928-30.9050421199-6.78358073673
115.09661759415-1.639735128830.2081963055864.111581614261.190467775061.49333621632-0.39173266741-0.663580140934-0.5696846053430.311626077640.06561884094960.4838619465040.364590832961-0.3336050044840.3964125331980.7388306198090.0258005127387-0.1289834578910.391546323584-0.004246981113390.79183531814228.6234886246-17.27404499780.345880924759
121.922992463671.18546736946-0.3976183731021.409931711290.008461660757981.1270131816-0.7830969478110.846732445431-0.546501508856-0.597052336164-0.399210923199-0.432955555070.225772364371-0.3306737324951.269665573651.20010666030.232223096952-0.4599020910480.837158201775-0.02949896841182.137675481537.4586507627-38.5667198862-4.31812593344
136.319989882283.99410802698-3.889998079295.88286255357-4.696061398388.333129279230.319103782663-0.6851784375270.05252394915210.636525353301-0.2538415326730.145494723577-0.5309316957810.0913240493766-0.04845241215620.2386300704630.08271854737640.04040166154610.3618311421580.01825746245950.26324499078135.642225061-3.8567741898836.4191276778
141.875237575141.21742432786-0.07054248161174.83251967289-2.679638998074.520579790180.34898084-0.2015365020940.1220058096560.32694171088-0.2173349842030.264329619342-0.347970542358-0.0607689181018-0.1685252751060.2784529959250.02621790135320.001471756073380.358708433515-0.00936666664650.28899558503737.78036382220.59938614547827.2546700042
156.20001961442-0.5285059019811.046172691811.19134526797-0.8717786544737.484352938120.114123585852-0.384639810377-0.749853543850.0546940990558-0.2275611481860.1398699088380.584684406490.441725885597-0.01547796857770.2523073959940.004958533984590.02771272014410.2495397205570.04513306134090.27287395861240.6073418938-11.51057670326.2438968456
162.590597814950.790092308525-1.530507450174.41238756687-4.742759349296.74120657490.1035537446410.190143920827-0.303616261613-0.009959640618810.123041246010.1272369307650.238698726941-0.781053509372-0.1118201242020.300013394623-0.0555266112271-0.04669206475680.3659940862470.01965656075490.37906448178431.2466394353-7.222399202719.6588828441
172.124483799910.006859403664120.2886275805122.70093568615-2.847456479194.63381355508-0.0217064751709-0.39571060175-0.1021349257780.07874336811480.3791130628060.491669080085-0.132615256915-0.53948640653-0.3967859132790.2318527545270.04072765726240.01968963899950.4148486368120.03729053142720.28766863504430.5475732864-3.9499952712629.7684278605
180.234981466295-0.3693371241711.135768276551.88536293166-2.479725409364.09987858147-0.0908788259853-0.1274872515740.01449117187060.2804003929260.00810579322546-0.13788885839-0.236326069776-0.0611394756340.04144281253340.2815908746180.02130268784350.02584127174680.2941627264980.0006290011922370.28876487877946.0992623464-8.7786172461340.0979554158
193.696914978060.2801720456890.4874290127671.64679975683-2.022203687434.765398010950.1074820707290.130534730255-0.06535333156630.567221586209-0.0623082420421-0.359619479754-0.6181940999560.349755255988-0.01471853556510.414042840787-0.067410760616-0.05762122710310.2568337740030.008173445744510.33387345696451.3548348672-12.63530509653.5962666161
207.662972070831.783752643593.754078410781.943129484390.4064764382825.24778673231-0.415484342124-0.1060286970010.4692713755480.4567146003620.232993380780.0164955691893-1.291011185110.2084058004960.198018171410.782367348621-0.0212194309296-0.006469346394040.3691629175740.03214272583080.43164028737650.1933800202-5.9159016679759.5075997792
218.32148241083-0.12681953283.306240656994.811684391521.06201783347.44834378668-0.684302519524-1.216929872660.3659057473671.707124836430.4560906204760.0360036845889-1.31267537332-0.65909211470.08060207521310.9030848977820.04931555606350.04955093205830.408205787713-0.01894942378640.35377768204349.3158975046-9.8572116769165.2618496398
225.66402736871-0.1917001321211.951993915342.5875298759-1.02727120383.014689346820.264693496263-0.312795973668-0.0318496785582-0.567055409262-0.595694717287-0.2184881711871.029593025480.4401551513640.3093466452690.4076258361390.2155557032810.08624197551410.5028764886850.07939632323890.46156444918158.9844081875-17.077396202721.122653123
233.16951262097-0.4527167336570.7622090067192.99469958572-0.6288262066258.109079123930.2947146281730.268160665242-0.105205971046-0.266308140647-0.134739471540.03583556152240.430246226690.382808925188-0.1532326540320.3198993738030.08161652750670.0182373389850.3604702309440.02842618065520.29184616610251.4037712831-9.3236968360115.446988332
242.93270726917-1.122836915580.8539327173712.8650071897-1.683493224093.645889992820.0784986663618-0.0265417080538-0.111850311078-0.126559058408-0.173135498609-0.31566104498-0.1449399651160.631942247970.1939806495670.2642390217240.03746738933240.03190419572850.485866084950.09020322650290.36502134948258.2266580199-5.7715198569920.5359885013
254.23236597588-0.8061408311821.024364936031.61951377389-0.9019384889194.30924070316-0.217889326197-0.198660184696-0.218177422874-0.0914063063953-0.113453362437-0.0714522249603-0.1161935171630.3602001926840.1795376912510.3472192435580.06201257291580.04181471424790.3237921328550.06506741870450.29645505320553.8869236086-10.695083999623.2492255193
261.79061306694-1.448972529242.196187642331.24030333583-1.906429645492.728184496030.4505775734040.4673871005780.146510858451-0.516793093466-0.870425907908-0.7098651211710.990438992791.152753048070.318091107480.3765602402850.0774845291684-0.02515235251650.8076559409860.3268109399990.56572852872567.092618355-18.444751033637.3398963118
275.026194804410.0925685912505-1.59278281023.65563985333-2.706442133526.4759680137-0.0546974576064-0.046487969350.2451031434490.362232440784-0.0200522379651-0.034034296126-0.07232547726990.3133110485680.04791626096760.362166559888-0.0120535658427-0.1428908579970.2937425754660.03451081819030.31363406407556.395175745-24.130656505255.9084606656
281.420592476460.302556898459-1.384796047239.37600770526-6.049368606664.8915690538-0.223403744734-0.104872727063-0.120585389697-0.2515063400770.1583266140480.0732719087720.185911707087-0.2600574093640.05649843885820.438146638820.00565315913306-0.1361628421810.378357607235-0.04994240581460.37915861196552.9264516285-32.1380805252.9726029834
295.368380337530.200096773513-1.938379785023.16005642709-1.70762675915.22849214744-0.1754316576-0.00380928534252-0.01740462393640.395279062244-0.051427430567-0.2532260869130.1051518475780.1123658603290.1881227231660.334575086172-0.0269658665994-0.1346778130570.3036003496040.001012160653720.34145695540458.7664700568-26.463442692955.9023105522
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 349 )EA333 - 3491 - 17
22chain 'E' and (resid 350 through 409 )EA350 - 40918 - 77
33chain 'E' and (resid 410 through 469 )EA410 - 46978 - 137
44chain 'E' and (resid 470 through 518 )EA470 - 518138 - 186
55chain 'A' and (resid 1 through 17 )AD1 - 171 - 17
66chain 'A' and (resid 18 through 25 )AD18 - 2518 - 25
77chain 'A' and (resid 26 through 44 )AD26 - 4426 - 44
88chain 'A' and (resid 45 through 60 )AD45 - 6045 - 60
99chain 'A' and (resid 61 through 83 )AD61 - 8361 - 83
1010chain 'A' and (resid 84 through 99 )AD84 - 9984 - 99
1111chain 'A' and (resid 100 through 117 )AD100 - 117100 - 117
1212chain 'A' and (resid 118 through 124 )AD118 - 124118 - 124
1313chain 'H' and (resid 1 through 17 )HF1 - 171 - 17
1414chain 'H' and (resid 18 through 39 )HF18 - 3918 - 39
1515chain 'H' and (resid 40 through 51 )HF40 - 5140 - 51
1616chain 'H' and (resid 52 through 66 )HF52 - 6652 - 66
1717chain 'H' and (resid 67 through 90 )HF67 - 9067 - 90
1818chain 'H' and (resid 91 through 139 )HF91 - 13991 - 139
1919chain 'H' and (resid 140 through 193 )HF140 - 193140 - 193
2020chain 'H' and (resid 194 through 208 )HF194 - 208194 - 208
2121chain 'H' and (resid 209 through 221 )HF209 - 221209 - 221
2222chain 'L' and (resid 1 through 25 )LG1 - 251 - 25
2323chain 'L' and (resid 26 through 38 )LG26 - 3826 - 38
2424chain 'L' and (resid 39 through 75 )LG39 - 7539 - 75
2525chain 'L' and (resid 76 through 101 )LG76 - 10176 - 101
2626chain 'L' and (resid 102 through 113 )LG102 - 113102 - 113
2727chain 'L' and (resid 114 through 150 )LG114 - 150114 - 150
2828chain 'L' and (resid 151 through 163 )LG151 - 163151 - 163
2929chain 'L' and (resid 164 through 214 )LG164 - 214164 - 214

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