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- PDB-8qrf: SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs -

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Basic information

Entry
Database: PDB / ID: 8qrf
TitleSARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs
Components
  • Beta-49 heavy chain
  • Beta-49 light chain
  • Spike protein S1
  • XBB-6 heavy chain
  • XBB-6 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
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.7 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 6, 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
B: Beta-49 light chain
A: Beta-49 heavy chain
H: XBB-6 heavy chain
L: XBB-6 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)117,9726
Polymers117,2405
Non-polymers7331
Water0
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area11650 Å2
ΔGint-58 kcal/mol
Surface area46650 Å2
MethodPISA
Unit cell
Length a, b, c (Å)189.106, 146.544, 51.158
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 BAHL

#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 XBB-6 heavy chain


Mass: 24575.293 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 XBB-6 light chain


Mass: 22730.949 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 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-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE

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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: 3.02 Å3/Da / Density % sol: 59.31 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M citric acid pH 3.5 and 28% (w/v) PEG 8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97627 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Sep 17, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97627 Å / Relative weight: 1
ReflectionResolution: 3.7→63 Å / Num. obs: 15935 / % possible obs: 100 % / Redundancy: 13.3 % / Biso Wilson estimate: 133.14 Å2 / CC1/2: 0.948 / Rmerge(I) obs: 0.78 / Rpim(I) all: 0.221 / Net I/σ(I): 4.8
Reflection shellResolution: 3.7→3.76 Å / Mean I/σ(I) obs: 0.5 / Num. unique obs: 740 / CC1/2: 0.23

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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: 3.7→57.92 Å / SU ML: 0.6943 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 38.6285
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.3169 828 5.26 %
Rwork0.272 14920 -
obs0.2745 15748 99.05 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 169.15 Å2
Refinement stepCycle: LAST / Resolution: 3.7→57.92 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8044 0 49 0 8093
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00298296
X-RAY DIFFRACTIONf_angle_d0.594111302
X-RAY DIFFRACTIONf_chiral_restr0.04351274
X-RAY DIFFRACTIONf_plane_restr0.00621444
X-RAY DIFFRACTIONf_dihedral_angle_d11.68532943
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.7-3.930.42861310.39232349X-RAY DIFFRACTION95.38
3.93-4.240.38911330.3472427X-RAY DIFFRACTION99.61
4.24-4.660.31751190.29512497X-RAY DIFFRACTION99.62
4.66-5.340.34991300.27962479X-RAY DIFFRACTION99.92
5.34-6.720.33791440.27752516X-RAY DIFFRACTION99.85
6.72-57.920.26641710.21332652X-RAY DIFFRACTION99.89
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.12257787768-0.80618238458-1.514720055038.383043963964.763716068823.948220763560.728052692344-0.117736539169-0.171185351008-2.693762448740.380851476462-0.562783703371-1.09105658092.04290475546-0.3599130647511.91523362618-0.131899554459-0.1850467955651.144007694380.09343240092961.243473254330.8768340825-7.04259914306-10.5656507391
27.72813503331.421806945970.3588849421619.837969241613.164243698151.049737274-0.3734897599760.5479129360960.763845413629-0.757048363698-0.279037533903-0.5375040686114.19719266504-0.2227783996630.3938606228421.93851264878-0.0453600262717-0.197617815541.263563237530.1100022200311.0568537966130.13640061290.401877938713-11.173904828
36.34405359391-5.94095124942.347507473215.52462458109-2.153443821750.8513623006850.9109881568580.281840948373-2.22477433865-1.19374534270.261904906692.840926813193.99929087562-3.730545904221.506600393412.85030972337-0.916782874825-0.1784039732371.780439928810.0816072550791.3126087366515.3621142874-8.0661104862-10.1068255209
44.944177056240.0362264889631-0.5990789916233.338834275251.54045793512.272567091960.450040931182-0.2071925564970.3385855537890.1282500254270.1201345706190.1222476613120.522333515736-0.71423779694-0.6025013881061.49895761057-0.263857961746-0.1766398021691.254798796680.3283108870511.090053394519.51183748835.0237543281-6.78590677033
50.1661791168470.422919779098-0.5389150643063.8781079442-5.491978037637.10771611660.00642758900494-0.424031093296-0.448629471385-0.982697943542-1.00475457592-2.186786626161.507512629970.0118335217577-0.4167127576761.69036553831-0.590061022717-0.07209927085181.51219033160.1549061065811.2164373820928.54032713188.334239061969.55958427608
62.50486124941-1.401268672610.8018642523763.44740143428-1.064905668086.45525138876-0.254776224213-0.7342822122810.1025128110171.34347106350.714812607489-0.06295014666170.733850994088-0.128113301449-1.558710627590.579047041771-0.0915462956508-0.3622396407221.194719284570.1538486481771.3374989664334.529135017619.45324339378.56899369455
77.02506142693-5.16847874306-3.347079320718.64123447004-0.5712263197393.683202919-3.464529601310.3538406460061.416620803420.0584761102322.936879960320.920730076499-1.142523553830.4959790786211.399075547522.03716163089-0.667663251431-0.6029450367211.794538733540.04747145761061.0748926099518.63109240051.4903945613.0582376563
86.50010365385-2.01083005988-1.918375238462.99330079938-1.173559577231.586696491540.6149482579011.339711393150.811883030003-1.669700852940.260983092821-0.6217924703992.07166542988-0.834392817659-1.074481505371.93603202728-0.332117405037-0.02507041795791.31681091750.3472798235981.3601525101224.05972979451.23770172278-15.539847334
93.62505224656-2.127747251171.681816607664.57340213064-1.032883621275.416546013651.58994710145-0.2184853741960.4436998300823.3961566703-0.888591354411-1.15003429366-0.8814092131821.63454230922-1.970479566561.70691542283-0.0227447802005-0.7278304321040.946707893767-0.2126392745681.920691074646.9765040653-23.43769433426.98444595165
104.588012571161.292996439442.75876677567.608187529671.395709749861.49706910844-0.786136599510.2382127628640.4163258173343.843789982770.259409692671-0.767299057652-0.606665071151-0.4540848700280.8009319121992.8493312857-0.605827957353-0.716624978081.394438066890.02417833586031.4990146563237.7847069866-18.87369304833.21894494489
116.21922952523-1.57642090612-0.01142786189687.891097007475.131109927643.47984468528-1.67644665993-1.76043352814-1.605116123173.54761895523-0.298904696959-0.1816862889250.380270308057-0.479152693419-1.149217484933.33328376065-0.350217147319-0.8751294229170.8434622096050.04753664823511.0447937210638.5641717052-25.37803575459.33379397315
124.20967935447-0.815256743710.4079171566121.388275351280.3807483703336.07133731879-0.965150008616-0.008864446445740.966066232580.4597965333030.435751833241-1.24566816633-1.33748231529-1.233268303910.8565555619821.360998475280.0180270462835-0.1733652631610.844698273573-0.2471856449911.1684145871242.9787254912-27.99496747074.3390082092
134.908030526351.50713097294-0.9391927535718.319525506750.8460558984431.048012868280.7791362284-0.108278054709-1.458260051141.370312485-1.049710790070.6928112745431.16012250026-1.129361226880.2171264303110.381716374530.2219598224740.1663328384731.61114481458-0.4284257685152.1489019471641.9740919959-64.80304597910.7070503507
145.03679186986-3.57553282786-0.7760985675225.56736190181-2.257199331487.73663322944-1.189993925910.249196870989-1.258473611481.01771185517-0.656596241471-0.141164193892-2.073283441310.684536374758-1.076725361670.8637122667480.4168594114120.08560210038480.879613343166-0.249653296961.227159282549.1040171707-51.604249215313.4519557717
150.67904283273-1.859908007690.2431280565577.578066911962.60942181066.515676213090.968042100881.06574948370.5808858521771.33142336353-0.7571343286491.357221588461.73505451751-0.9384699775070.2124341759581.035624993780.5879591282510.2944362840241.317733820330.24035127491.6417575545553.9703806688-56.4761078167.5482904779
164.044676416870.326733515837-0.2952889832394.11399101746-0.7437546522773.90262020775-0.790206602374-0.703919515608-1.09275418538-0.01371957271891.48919018852.89252001775-0.654585350723-1.874157715622.62047038691.129858132350.360788552503-0.03485947614411.60427569311-0.1642538292651.6504502681944.8792111153-53.456312992810.5613290512
176.49723047608-1.15289159381-1.675085001971.220642935951.036394007067.3701179267-1.59151559884-0.9113075388230.5827941511911.737792770470.251024384404-0.972094156472-0.874451311792-0.8034886010510.527832474941.499551050350.129474572972-0.1620113078461.01819521486-0.1014424975531.0034634139952.8326269914-59.637368971318.2457993777
189.07122753464-7.50840223152-4.364194685157.914424422114.692635746334.994110231892.144099958582.80448388902-0.586372277797-1.60212343986-2.43411274920.08374290786312.00883312777-1.109526577851.233281407061.70959333480.10878224986-0.4353092689112.06963439381-0.5569432362620.92191925109427.7681130866-38.2414507202-13.2819977876
191.42530131070.3002669133091.564267467266.073689305990.2870938795276.67311274940.06693134724051.573303068-0.105840255762-0.943653609233-0.0914347385742-0.1117884812630.1080851912721.99311505415-0.03746377613661.259621687020.262349689244-0.2364968873421.55531113548-0.07977974388511.0708702572232.9544175744-29.9027982539-16.0272451843
200.62601708698-1.831043579750.6809005048497.38199834916-1.794110496151.278168553340.573177279490.577544676393-0.886276822971-1.62247434148-1.32368456941.03436186921-0.509046006544-0.350921166372-0.1556128248651.56506462670.057972132966-0.1625244611241.36845967599-0.225692899221.1499496052730.5812912653-35.2975624874-8.46442550177
213.35447432019-1.071481859061.36809008814.749493072510.4167373599366.97776074539-0.5966004507960.929933216613-2.146633900130.353455481359-1.392217674752.956649974411.958211309720.253818181784-0.5332166640311.01703972192-0.05763153362060.4625604267361.46800183555-0.4783483919892.5482952692437.0802999033-60.145194833511.6120691628
220.336213434088-1.003152242520.3149811656183.979053641130.05356662478351.37169892543-0.08061076239640.381547290178-2.709745128141.47524959294-0.4142595254161.5207070258-0.00816809267811-0.1189181171281.030413879720.45817585930.241486710108-0.1877228765571.88209082949-0.4814408048443.1539345994229.6948378419-51.25118410989.05851391441
231.719132846690.4037664509370.5822284028770.910794238049-0.5385978006471.39587366356-0.0511839172431-1.26325000884-3.30174476971.29464099850.2321720435682.270361882471.2488139050.518981126784-0.218678791717-1.133334124751.917898241991.972730905570.324675469757-1.287156426342.1404483394338.2255209178-53.99132624628.14929538156
241.82698058897-1.99080334141.245292672826.18701259521-1.221553160934.2931395651-1.17206977272-1.20389197692-2.02737715611-0.3350493065091.523426127311.714566725640.330782615337-1.22557320111-0.2498788106640.277274134245-0.9365138241030.5406107585672.850355990260.09868859941052.386309161727.2224740628-59.06116870814.0026564372
254.08640974022-3.48138791351-2.66444615092.767547604772.398240910533.69784147581-2.020164908540.6574738217431.20830026907-0.2751860301680.8380631776342.290013782780.2772681812060.393467649618-0.3648633635481.10232582847-0.918598610563-0.4473206645641.162023197290.1760063353063.1565997547127.4675499548-60.81963171156.0876626631
266.11227448366-3.22593803975-5.169988561785.335257829012.488158208883.3692575854-1.403375770670.4526127783950.4482811112342.100459830030.850096240285-0.0509217688462-1.485970824270.0968571749165-0.3796498846571.617413772440.07657813538920.02283686171770.9224490040650.06104913461981.1459705050719.048663442640.851374028810.7997315745
278.990046964780.498492003096-6.085734986885.618361599512.329228080879.21124880335-0.09459822212763.951385557460.49783363044-1.317818335440.5851695652410.689275400352-0.00462223750485-0.890305467535-0.2731194610291.449022212860.08921299373590.2238661060661.417428462870.6613600539581.522542316615.153142965935.24647871661.02206825441
283.375918685371.69909923882-0.3200023404881.628461294510.4809853678080.8382725229160.2563745492491.240507045532.88953932041-2.219497119080.518793254409-0.356459148507-1.004525245420.127700082679-0.3708601682821.264446784430.0347619117737-0.1224625301791.444155757910.6433536479351.8954678023217.584072632443.54582357124.4502526602
291.30558180826-1.90714639342-0.6782249770729.92549706513.89217232153-0.1022280992050.4162474263120.167800673658-0.0841555435456-1.116450041490.179724385357-0.320079322537-0.0601263475006-0.884294629287-0.4142373778581.245474898830.304656865288-0.08804969539451.232649711180.3277079630071.3119412406616.04811899337.384022420412.7757878296
300.981256530883-0.963520839923-0.5837051354922.32731854197-1.555703243491.977211859560.451363428144-0.3041835799351.29759851309-0.352783906614-0.711542771071-0.316602715531-1.910694630590.6358131741040.0001700537247881.699245343520.331245544790.02179784098772.385660091030.1835644333162.040931344452.9028223411360.219897692336.3105985225
310.6422363833240.02617051006640.9142547328661.32102201782-2.128265891693.06919845610.147009990636-0.1546566155190.008246326375431.23149513638-0.3681411804011.56472816714-0.157478841882-0.337944907652-2.78805920938E-51.3922702323-0.1954092469250.389482767431.08666757640.08802995096411.60604546378.3661427281222.629434171919.1600613283
320.257670944665-0.385844722931-0.2884332057290.1716276350230.7485684227151.85582498945-0.9287386891040.2688027859150.08383086144961.583530993460.04765080547250.227746328914-2.366631398840.862438973908-0.01274178181251.52066887374-0.062700192470.3532168557931.111507033680.4369238203661.293297259328.985647307922.773045936823.0477966833
331.552163228710.9092876173471.085203703641.141883662041.925684315863.11797103019-1.07266605296-0.8571705935170.652239185447-0.4504475615530.2768228118230.2960329998711.79931034966-0.952747534939-0.0001867147479712.608676664140.1159654535230.3534617580732.006563147770.09737315236541.80958925133-11.168087459451.900379677734.7223580711
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 364 )EA350 - 36421 - 35
33chain 'E' and (resid 365 through 375 )EA365 - 37536 - 46
44chain 'E' and (resid 376 through 442 )EA376 - 44247 - 113
55chain 'E' and (resid 443 through 459 )EA443 - 459114 - 130
66chain 'E' and (resid 460 through 494 )EA460 - 494131 - 165
77chain 'E' and (resid 495 through 506 )EA495 - 506166 - 177
88chain 'E' and (resid 507 through 527 )EA507 - 527178 - 198
99chain 'B' and (resid 1 through 18 )BB1 - 181 - 18
1010chain 'B' and (resid 19 through 76 )BB19 - 7619 - 76
1111chain 'B' and (resid 77 through 91 )BB77 - 9177 - 91
1212chain 'B' and (resid 92 through 115 )BB92 - 11592 - 115
1313chain 'B' and (resid 116 through 130 )BB116 - 130116 - 130
1414chain 'B' and (resid 131 through 152 )BB131 - 152131 - 152
1515chain 'B' and (resid 153 through 165 )BB153 - 165153 - 165
1616chain 'B' and (resid 166 through 190 )BB166 - 190166 - 190
1717chain 'B' and (resid 191 through 216 )BB191 - 216191 - 216
1818chain 'A' and (resid 1 through 17 )AC1 - 171 - 17
1919chain 'A' and (resid 18 through 100 )AC18 - 10018 - 100
2020chain 'A' and (resid 101 through 124 )AC101 - 124101 - 124
2121chain 'A' and (resid 125 through 150 )AC125 - 150125 - 146
2222chain 'A' and (resid 151 through 170 )AC151 - 170147 - 166
2323chain 'A' and (resid 171 through 193 )AC171 - 193167 - 189
2424chain 'A' and (resid 194 through 205 )AC194 - 205190 - 201
2525chain 'A' and (resid 206 through 219 )AC206 - 219202 - 215
2626chain 'H' and (resid 1 through 44 )HD1 - 441 - 44
2727chain 'H' and (resid 45 through 70 )HD45 - 7045 - 70
2828chain 'H' and (resid 71 through 91 )HD71 - 9171 - 91
2929chain 'H' and (resid 92 through 131 )HD92 - 13192 - 131
3030chain 'H' and (resid 132 through 226 )HD132 - 226132 - 220
3131chain 'L' and (resid 3 through 51 )LE3 - 511 - 49
3232chain 'L' and (resid 52 through 117 )LE52 - 11750 - 115
3333chain 'L' and (resid 118 through 214 )LE118 - 214116 - 212

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