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- PDB-8cbf: SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 8cbf
TitleSARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs
Components
  • Beta-49 heavy chain
  • Beta-49 light chain
  • Omi-42 heavy chain
  • Omi-42 light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 / BA.4 mAb / BA.5 mAb / RBD / BA.4/5-1 / BA.4/5-2 / BA.4/5-5 / Beta-49 / Omi-42 / 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 / 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
Similarity search - Domain/homology
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.33 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: Nat Commun / Year: 2024
Title: Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Authors: Liu, C. / Das, R. / Dijokaite-Guraliuc, A. / Zhou, D. / Mentzer, A.J. / Supasa, P. / Selvaraj, M. / Duyvesteyn, H.M.E. / Ritter, T.G. / Temperton, N. / Klenerman, P. / Dunachie, S.J. / ...Authors: Liu, C. / Das, R. / Dijokaite-Guraliuc, A. / Zhou, D. / Mentzer, A.J. / Supasa, P. / Selvaraj, M. / Duyvesteyn, H.M.E. / Ritter, T.G. / Temperton, N. / Klenerman, P. / Dunachie, S.J. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
History
DepositionJan 25, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 7, 2024Provider: repository / Type: Initial release
Revision 1.1May 8, 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.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Nov 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
B: Beta-49 light chain
A: Beta-49 heavy chain
L: Omi-42 light chain
H: Omi-42 heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,57111
Polymers116,9455
Non-polymers1,6276
Water4,252236
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13480 Å2
ΔGint-71 kcal/mol
Surface area46270 Å2
Unit cell
Length a, b, c (Å)177.002, 144.275, 49.665
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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Components

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Antibody , 4 types, 4 molecules BALH

#2: Antibody Beta-49 light chain


Mass: 23566.121 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-49 heavy chain


Mass: 23431.438 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 Omi-42 light chain


Mass: 22629.980 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 Omi-42 heavy chain


Mass: 24381.258 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
#6: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1219.105 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-3-3-4/a4-b1_a6-g1_b4-c1_c3-d1_c6-f1_d2-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE

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Non-polymers , 4 types, 241 molecules

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


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
#9: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 236 / 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: 2.71 Å3/Da / Density % sol: 54.63 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: containing 0.1 M sodium citrate tribasic dihydrate pH 5.5 and 22% (w/v) PEG 1000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9762 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: May 19, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 2.33→75 Å / Num. obs: 55255 / % possible obs: 99.8 % / Redundancy: 13 % / Biso Wilson estimate: 51.49 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.3 / Rpim(I) all: 0.086 / Net I/σ(I): 7.1
Reflection shellResolution: 2.33→2.37 Å / Redundancy: 8.7 % / Mean I/σ(I) obs: 0.4 / Num. unique obs: 2547 / CC1/2: 0.332 / % possible all: 93.3

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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 / Resolution: 2.33→72.14 Å / SU ML: 0.4252 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 31.0347
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2553 2733 5 %
Rwork0.2147 51927 -
obs0.2167 54660 98.7 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 61.9 Å2
Refinement stepCycle: LAST / Resolution: 2.33→72.14 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8030 0 106 236 8372
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00358336
X-RAY DIFFRACTIONf_angle_d0.613111346
X-RAY DIFFRACTIONf_chiral_restr0.04481280
X-RAY DIFFRACTIONf_plane_restr0.00471442
X-RAY DIFFRACTIONf_dihedral_angle_d11.7782981
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.33-2.370.42471300.40912176X-RAY DIFFRACTION84.47
2.37-2.410.45691230.39032407X-RAY DIFFRACTION93.91
2.41-2.460.39581410.36522565X-RAY DIFFRACTION98.33
2.46-2.510.3911240.33272569X-RAY DIFFRACTION99.7
2.51-2.570.35141420.33022595X-RAY DIFFRACTION99.67
2.57-2.630.38951220.33142641X-RAY DIFFRACTION99.82
2.63-2.690.35641270.33132546X-RAY DIFFRACTION99.78
2.69-2.760.37481360.29662624X-RAY DIFFRACTION99.75
2.76-2.850.34141260.29772561X-RAY DIFFRACTION99.74
2.85-2.940.30631490.26132632X-RAY DIFFRACTION99.71
2.94-3.040.34291390.25242585X-RAY DIFFRACTION99.74
3.04-3.160.34631350.26062612X-RAY DIFFRACTION99.89
3.16-3.310.27741490.25342637X-RAY DIFFRACTION100
3.31-3.480.30881480.2392578X-RAY DIFFRACTION99.78
3.48-3.70.26171470.20262626X-RAY DIFFRACTION99.93
3.7-3.990.25871350.19672652X-RAY DIFFRACTION99.96
3.99-4.390.20531300.15642666X-RAY DIFFRACTION99.96
4.39-5.020.17081400.13562688X-RAY DIFFRACTION99.96
5.02-6.320.18811360.16332722X-RAY DIFFRACTION99.97
6.33-72.140.16091540.16732845X-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)
13.373727935460.1656385387530.8351358161975.200694560560.9724459414672.785033791940.4008877403890.612321749444-0.0610769027529-0.715762499508-0.0472590235673-0.479056648697-0.306819205910.410284607111-0.24590831820.656097066542-0.0637514648105-0.04166796683060.557578552093-0.01767316937840.48924644524141.236857342744.9489148597.27752911526
21.44411455449-0.346241085332-0.4875442488394.41954113511.682335361313.165181062580.09532035923030.2984386570010.00342583435865-0.725421807124-0.036862862450.0558927208115-0.2117954708280.0792114526002-0.1095802579920.553480220376-0.04929540077970.01658647930030.4814398840480.02370989754640.38080300218835.649243668355.33755787262.27464282065
32.100510346581.557945167850.193273527265.039855235250.5819639867952.77970564252-0.0329616920795-0.0541300721811-0.02002875262540.01724505492050.0516229661981-0.02262488815860.02690654472370.1664528023830.003820497089490.3445447643580.0206814644456-0.02017563652360.3432098381690.0532947601420.34162850867332.501496146762.519675955414.3245522801
43.322651808651.23494429048-0.936168413451.92040670862-1.129034189962.787286549230.147231505774-0.554757995602-0.02588404605680.287780041095-0.151031534727-0.115080373773-0.3120516583290.5651758993040.05076044652960.681319307815-0.0379844731823-0.05769936757280.566474456905-0.009792582997560.38201514366737.211695409730.23667243129.6396979114
51.23242138942-1.188799138760.01720897894462.851292146510.4898885812713.507607010210.2156174778160.429302974562-0.179460727189-0.198288594612-0.0443580444230.3417177928690.440403227481-0.286106463208-0.2375141403420.451403131404-0.0542484888845-0.08982207333890.434261374088-0.0007374010523630.31153172452430.985897063528.775129045718.6704416214
61.046643847680.0458991056478-0.2635124994332.47109967854-0.6296101577562.712369474630.0764972391049-0.1360589030080.1115234486690.2988239465170.08640679860780.142584993337-0.06336248598730.0397753951403-0.1844812070320.400527345283-0.03413220723950.004606989402920.475795535831-0.01886263452940.32715854972631.965752374832.594741096922.4833721814
70.346934833870.672192647663-1.01731806973.71324738051-3.120890594743.409678327190.315951192968-0.110916766287-0.2092588151580.266606420289-0.331076849120.32320506117-0.5561571490240.7092661720020.05259504854960.546172549349-0.03549424615360.01736347985160.5366727392450.02986051026550.40351986057125.351339039917.360521265237.9473247127
82.68305619208-2.28897323559-0.6922790830894.833445944090.3710203418593.24302074834-0.1139337031130.121712045007-0.400263490239-0.7478042497320.2391889336010.05558193706140.3228818274390.145511999292-0.08654840420960.53960634234-0.061247991977-0.007612906049230.399435187715-0.008388927153280.40691694462328.6117621943-3.9862628344433.021373039
92.29638244341-2.73556917692-0.2536367755844.29780699968-1.191866918742.383620150610.04029073725070.01541474288020.0200273437444-0.5034562915760.1419977226870.1293670076680.0368332300104-0.224564900607-0.1681877347320.503156057559-0.0697945464663-0.07877648653610.554869182993-0.01365989065270.5136555243229.47190171814.2706516398432.7284276294
102.556412213680.09923042130540.1935198643416.069009243070.06733396420363.03667234473-0.04743740777290.422242867902-0.467417229121-1.17631168973-0.0405510130804-0.8257995339590.6030264767670.2916909704430.07228842559320.7600214707160.05783184788180.06096659481910.5507961323980.00418532996520.49303444218234.70058911-11.848019633529.0658646576
112.46317522907-2.72414402585-0.795497760998.618840403932.694582905423.02436074669-0.3641921478270.17156145911-0.1769135043820.7827842749310.4732458721680.006458353480310.679882508173-0.166934109838-0.03844551894260.62546591901-0.03158627557810.02217442554670.4653366823510.03132500245350.40076312373831.0000262691-6.8524411874141.3970505711
123.007583702111.36027766395-1.085767435055.061791076021.892661348263.00819277377-0.0386767557784-0.00203719572028-0.2032956261890.03004063582150.204987045097-0.3482990559960.1870150973240.578102375997-0.1683514949080.4749583124640.0717968886996-0.03139284804280.458285093183-0.03162663843740.2809155971240.621359859920.05559411785.09605995061
130.8420052765430.855366015291-0.1828928831773.3309277791-1.306652180562.270469016220.06484594558420.00572307330541-0.172846452229-0.3672130709770.1870314564860.4824459404320.545946300468-0.328334025944-0.2027889725020.455650257735-0.0367127080893-0.1471727790090.47204219002-0.02077831883120.38968209780329.30351984389.5789500456614.449627103
143.4748419226-0.8283068057720.02429445740493.365600493831.01938422332.92725965061-0.1337143401430.511849683697-0.0883171673965-0.9906444603410.0545391181470.6943656318330.0588260278176-0.4221051595350.09029759935180.759393861437-0.134944177457-0.2298422678670.4879676686290.001324267673640.50587529144318.3158592898-2.919253341522.7481962511
154.10036741533-1.55159189718-0.3186074718861.610222123630.6651769730110.911741744770.1035096012330.02514425175770.0123704341109-0.118250875895-0.02336144845940.303482906064-0.0629603164762-0.105447073684-0.05251738648710.4439373452-0.03792275249060.01832338056080.3867755241780.01835676865930.5648883984318.252069499980.541105664412.7893827278
163.602627670842.58581281596-0.5051653873883.62734918557-1.404387336054.2250500213-0.1395241496680.06160699754490.606606263443-0.187047777149-0.09043259294160.0963599134107-0.408957178544-0.1566471553490.1859155002930.5783250151880.0129889895369-0.05246266643390.473791730444-0.1196333790270.794720254913-6.60985667044114.8724778316.8783143973
173.1033018441-1.31008244808-0.1435227269581.929041474751.355293637141.209768988860.442222722613-0.03892764448320.9469499910710.0977326951523-0.147893201399-0.0692621855589-1.24893446577-0.394802310966-0.523392673590.667315100083-0.01076156594730.1856908529720.527906342682-0.09044880493580.86152339265924.9793319504101.98464358211.2019853029
181.717288290270.282464330119-0.6284111899753.38758487195-0.6402293959461.98058391254-0.07618015873430.2432284785310.5278749254930.175629621259-0.02445347817910.123517009169-0.3652094561170.07256827856490.08905297166620.512702413088-0.02927125918290.05292772168160.4614344402720.04061450458950.67300132667228.291541046690.217584682610.9417919104
192.124629151340.09066769923191.516529354652.64186346521-0.1845643145725.324428700930.1509762600290.4184796971790.153824202692-0.1015183877970.104007670788-0.360197891693-0.4018994270770.721451125843-0.2408162262260.64369737418-0.03019493101780.006339938694780.521727422542-0.01615893152820.75504244116832.234139321694.51660802317.08824011091
202.921480358390.583568041477-1.652183417823.82457196771-0.9304689638433.969791650390.5945689440570.4416091571910.638558067208-0.9181736121260.2465856253580.397728639072-0.4427710804120.0319814156599-0.7186162017930.5824421980030.01438538775640.04081249056460.5492059268350.08928390183020.73255097341321.996475516396.87871761775.36974203546
212.49247319025-0.8598267299621.168394287011.933604895070.7867766473371.409781232990.0517075294404-0.175217467630.333058688903-0.243634885228-0.0608763751605-0.226298128251-0.777380663730.2252898365730.1014552438480.703573365729-0.08370724556860.1128239239490.5092644648030.002143968674430.5860509574427.121762088178.134305895113.8038690091
221.97766972295-1.541589934140.6029538126348.83692361078-3.929990274583.95324374454-0.00867708627653-0.1033332388680.4321075877150.5208321419760.157080796089-0.267935181451-0.297501083744-0.256128578841-0.05466041502710.568415894389-0.01538994709870.1439005940.51619013309-0.07889055175650.91744066412120.207282764894.459286594913.8305524464
231.39914376558-0.4512610695960.5227663729682.80524771133-0.155774160811.79365759340.433195702948-0.2352593999050.399387755491-0.466742922688-0.229450342262-0.3789283557-0.3921308797540.0294180301688-0.2054648874260.658948948147-0.112472001508-0.02242557335350.581053608328-0.01367825018620.9629370714769.44731845772118.39183949316.2643083059
243.04028970443-1.11146253720.2555223261833.286003149790.9091629273412.215431389390.235947714753-0.3932215001560.7094625838090.0613342816193-0.269157030915-0.8212186578720.200830672029-0.173329620837-0.01802683404130.74200466955-0.104804789702-0.04159507381730.6024785320540.0002866256602621.091995853919.77575927597113.34159821221.0375216939
251.950979994-0.365570408381-0.2012092485372.89855621236-0.4760345028122.71024705504-0.0665684830228-0.240458327301-0.03055203291310.180860689148-0.23859063234-0.7247740896680.3210667080710.1925838133160.2594391310480.565142934043-0.0626387869718-0.08730055908340.5557316811110.08459026347970.9323223422965.02526056591110.9595822.108337637
262.9131855832-0.328612498009-2.960167941662.368496971720.678455925217.57955446451-0.0627871736756-0.8801126431160.5504251295830.0692655548387-0.212584521236-0.2609025526-0.9468175733360.9054865669410.1845382375550.745663237024-0.114462578731-0.1720720302570.777783150342-0.05802087641541.2730131560312.451443113118.16636316727.0126244123
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'E' and (resid 330 through 349 )EA330 - 3491 - 20
22chain 'E' and (resid 350 through 421 )EA350 - 42121 - 92
33chain 'E' and (resid 422 through 527 )EA422 - 52793 - 198
44chain 'B' and (resid 1 through 30 )BI1 - 301 - 30
55chain 'B' and (resid 31 through 49 )BI31 - 4931 - 49
66chain 'B' and (resid 50 through 103 )BI50 - 10350 - 103
77chain 'B' and (resid 104 through 115 )BI104 - 115104 - 115
88chain 'B' and (resid 116 through 152 )BI116 - 152116 - 152
99chain 'B' and (resid 153 through 176 )BI153 - 176153 - 176
1010chain 'B' and (resid 177 through 190 )BI177 - 190177 - 190
1111chain 'B' and (resid 191 through 216 )BI191 - 216191 - 216
1212chain 'A' and (resid 1 through 100 )AJ1 - 1001 - 100
1313chain 'A' and (resid 101 through 139 )AJ101 - 139101 - 135
1414chain 'A' and (resid 140 through 219 )AJ140 - 219136 - 215
1515chain 'L' and (resid 2 through 116 )LK2 - 1161 - 115
1616chain 'L' and (resid 117 through 213 )LK117 - 213116 - 212
1717chain 'H' and (resid 1 through 17 )HL1 - 171 - 17
1818chain 'H' and (resid 18 through 60 )HL18 - 6018 - 60
1919chain 'H' and (resid 61 through 83 )HL61 - 8361 - 83
2020chain 'H' and (resid 84 through 99 )HL84 - 9984 - 99
2121chain 'H' and (resid 100 through 110 )HL100 - 110100 - 110
2222chain 'H' and (resid 111 through 123 )HL111 - 123111 - 123
2323chain 'H' and (resid 124 through 146 )HL124 - 146124 - 140
2424chain 'H' and (resid 147 through 169 )HL147 - 169141 - 163
2525chain 'H' and (resid 170 through 200 )HL170 - 200164 - 194
2626chain 'H' and (resid 201 through 226 )HL201 - 226195 - 220

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