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- PDB-7zf3: SARS-CoV-2 Omicron RBD in complex with Omi-3 and EY6A Fabs -

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Basic information

Entry
Database: PDB / ID: 7zf3
TitleSARS-CoV-2 Omicron RBD in complex with Omi-3 and EY6A Fabs
Components
  • EY6A heavy chain
  • EY6A light chain
  • Omi-3 heavy chain
  • Omi-3 light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 / Omicron / RBD / antibody / Fab / Omi-3 / EY6A / 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 / viral translation / host extracellular space / 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 / viral translation / host extracellular space / 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
ISOPROPYL ALCOHOL / Spike glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.15 Å
AuthorsZhou, D. / Huo, J. / 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 / Year: 2022
Title: Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Authors: Nutalai, R. / Zhou, D. / Tuekprakhon, A. / Ginn, H.M. / Supasa, P. / Liu, C. / Huo, J. / Mentzer, A.J. / Duyvesteyn, H.M.E. / Dijokaite-Guraliuc, A. / Skelly, D. / Ritter, T.G. / Amini, A. / ...Authors: Nutalai, R. / Zhou, D. / Tuekprakhon, A. / Ginn, H.M. / Supasa, P. / Liu, C. / Huo, J. / Mentzer, A.J. / Duyvesteyn, H.M.E. / Dijokaite-Guraliuc, A. / Skelly, D. / Ritter, T.G. / Amini, A. / Bibi, S. / Adele, S. / Johnson, S.A. / Constantinides, B. / Webster, H. / Temperton, N. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Crook, D. / Pollard, A.J. / Lambe, T. / Goulder, P. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Mongkolsapaya, J. / Fry, E.E. / Dejnirattisai, W. / Ren, J. / Stuart, D.I. / Screaton, G.R.
History
DepositionApr 1, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 1, 2022Provider: repository / Type: Initial release
Revision 1.1Jun 15, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Jun 22, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: EY6A heavy chain
L: EY6A light chain
A: Omi-3 heavy chain
B: Omi-3 light chain
E: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,38111
Polymers117,8935
Non-polymers4896
Water00
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12720 Å2
ΔGint-52 kcal/mol
Surface area45030 Å2
MethodPISA
Unit cell
Length a, b, c (Å)87.517, 119.889, 134.019
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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Protein , 1 types, 1 molecules E

#5: Protein Spike protein S1 / SARS-CoV-2 Omicron Spike protein / RBD / Spike protein receptor binding domain


Mass: 23157.164 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

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Antibody , 4 types, 4 molecules HLAB

#1: Antibody EY6A heavy chain


Mass: 24318.260 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody EY6A light chain


Mass: 23315.855 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 Omi-3 heavy chain


Mass: 23634.482 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-3 light chain


Mass: 23466.943 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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Non-polymers , 2 types, 6 molecules

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


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-IPA / ISOPROPYL ALCOHOL / 2-PROPANOL


Mass: 60.095 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O

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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: 2.98 Å3/Da / Density % sol: 58.75 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.1 M sodium citrate tribasic dihydrate pH 5.0, 30% (v/v) Jeffamine ED-2001 pH 7.0

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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: Jan 31, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 3.15→74 Å / Num. obs: 252075 / % possible obs: 100 % / Redundancy: 13.7 % / Biso Wilson estimate: 77.01 Å2 / CC1/2: 0.955 / Rmerge(I) obs: 0.491 / Rpim(I) all: 0.136 / Net I/σ(I): 5
Reflection shellResolution: 3.15→3.2 Å / Mean I/σ(I) obs: 0.6 / Num. unique obs: 1209 / CC1/2: 0.33 / % possible all: 99.2

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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: 7QNW

7qnw


Resolution: 3.15→73.28 Å / SU ML: 0.4714 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 25.4111
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2661 1232 4.93 %
Rwork0.2076 23770 -
obs0.2104 25002 99.87 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 77.91 Å2
Refinement stepCycle: LAST / Resolution: 3.15→73.28 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8074 0 32 0 8106
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00238296
X-RAY DIFFRACTIONf_angle_d0.498711278
X-RAY DIFFRACTIONf_chiral_restr0.04231256
X-RAY DIFFRACTIONf_plane_restr0.00451445
X-RAY DIFFRACTIONf_dihedral_angle_d10.86952955
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.15-3.280.35641410.31212576X-RAY DIFFRACTION99.41
3.28-3.430.33671190.29062594X-RAY DIFFRACTION99.71
3.43-3.610.34731270.25082612X-RAY DIFFRACTION99.89
3.61-3.830.30011510.24562602X-RAY DIFFRACTION99.93
3.83-4.130.25551350.2092616X-RAY DIFFRACTION100
4.13-4.540.22451230.1722638X-RAY DIFFRACTION99.96
4.54-5.20.22041360.16372665X-RAY DIFFRACTION100
5.2-6.550.23651380.19312669X-RAY DIFFRACTION99.96
6.55-73.280.26161620.19052798X-RAY DIFFRACTION99.97
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)
12.546687909211.20818395658-0.7496379992313.98375332063-2.308431885485.7233060052-0.186703473858-0.1792470700460.2163704889550.0636050176283-0.18272882211-1.28028122170.3405903008350.5959192541070.1913348738050.6168362451390.0925622126236-0.03992269490370.753186305271-0.1271812972730.7542572365555.21794996573-44.42475663465.89039929677
22.45869603169-0.578532472842-1.001021613013.88459671645-0.6744762562365.373536693370.195670357194-0.134144623405-0.1520882697880.2940428251430.318885050249-0.08811782052120.3688732917730.426370605308-0.6101761612020.564028847984-0.00208791863694-0.09201456536730.732008915868-0.05582055275150.5890718682240.14431127397-40.876520357211.9982880677
31.219879936090.774603604461-0.5354552339314.73642791958-0.4911796490750.939589516970.09564887139350.1981080632240.1266967813920.6407221214850.0589910912487-0.1546709096350.1571787689650.0919061998252-0.113820796560.57486589818-0.00670041179105-0.100317526050.6557439299260.009469534372040.592416691106-8.06451181825-52.24769044754.94404973432
43.757996838040.8834503251090.9367137124283.21644644079-1.180865911210.489357886496-0.01964726109490.493047381772-0.0002787721460060.2406644291710.0691472036128-0.007860325978380.04834942324880.4953844941650.1451064572690.8605133049530.0857922249239-0.02574647203870.532730362297-0.005444769934930.547706893888-16.3644217076-69.53919816720.0990587657725
54.953979436394.360831913723.002136262199.387145592796.02774931514.884764281880.5401199641091.08912954507-0.7905132513850.879714654027-0.165809082369-1.339916970131.534024302890.901913403909-0.3751504760940.9405932242390.131941982609-0.01035668731880.8565013007240.1023711681350.799838781006-12.5922593968-78.218421899-2.03303365729
63.805164310412.210783513151.18113139438.771094815747.616400975956.8860986222-0.3638623048380.5939760534440.2944251235810.840238343618-0.673096933011.552658455671.879674964120.1784939335750.7029638342680.608352668069-0.1467065527510.1218126367720.594412839975-0.00881975528920.691742051581-23.3647879894-38.560007111-1.88528837643
75.603007388614.038035361792.204027386672.77584781970.9390110586048.69304695873-0.1948774367760.4676231363440.538348042055-0.429568274655-0.01528134992750.314286756967-0.31718208294-0.2321358639440.2354297217040.535679806765-0.000927058078703-0.04834802903180.385161057628-0.001218974625330.529468506483-15.2162185795-32.6051738691-3.12827940269
80.8392627638351.649966799071.553762126374.771367040311.924431022640.4621651420430.1477169234110.0240156759743-0.07100457099320.1770667944590.08816751838190.1503732623530.4295913063940.130683688954-0.1172123705620.60033798936-0.07529614240770.04178556856870.556431637672-0.02995010789420.571895513645-18.7863875807-41.3297769241-3.14326038968
95.10938955276-1.905269795780.3679673740544.66921192323-1.409754958725.162789750730.0928564298461-0.49634647915-0.271907415169-0.27457313354-0.1806700310970.1868240748740.6807128297880.0303708884789-0.006321923887760.718008930833-0.01327062872820.1128749268980.5020474760160.06265769109820.676344894039-27.8835603316-68.76147592364.71976204318
101.5247646121.131058809762.394789124036.51994063431-2.000173176666.412874789580.062266331649-0.254117867381-0.1430799027931.04156733762-0.259422224007-0.133101718675-0.725969711722-0.1790261924330.2734577803380.5925302918360.09014384889540.09712603815560.598462730953-0.0156712254880.54702865861-26.7527449408-61.43601231672.80817920815
112.08357527765-2.731666767940.3469204536685.38674704878-1.529312134574.20197967996-0.78618388449-0.719739864412-0.05777327514570.6993570792521.234222684370.1945287746840.613904630174-1.40128601875-0.7348635188011.06981260744-0.0912975548087-0.006389664497130.6851626202910.1243936618590.77401681861-30.3591486447-70.87760260110.8493338774
121.584543004720.3560715344391.409802837263.12057470493-2.302819360717.067036184630.275229313125-0.747147287705-0.1204829459891.152120505650.9483438057310.90264847513-0.511005251064-1.85114849481-1.052276225130.646625190455-0.1997236527070.002657123625010.9162556008150.1773193808981.13129782457-37.7104234852-69.31886560022.46843303266
135.553501382012.000231356793.755277110482.75292458086-0.7465956201454.622433611240.5911498287410.345254032590.537254880558-0.528144298133-0.8850114876220.5880055826670.150031771456-1.373201004220.1861548292440.361175273119-0.08547599359740.01783806424350.7534276809850.05771673134830.518969002983-51.1736808957-28.745920189125.669894963
144.221487904383.008123586140.1739509779023.876969264550.4498040265026.05471184314-0.1250911474380.4514239226510.0245949635383-0.1586109235580.2377826517110.2703469558930.279782184855-0.0342235546344-0.1254904433980.6131273088140.04761792225850.03850340359310.5437669730090.004032556808780.458359578892-39.5409240068-26.367420067526.5921747407
155.145857117372.26224286689-2.522212231921.08911588103-0.4317316304914.60690398895-0.3420720515360.8497300835030.0409903648980.4731581125950.5144503268660.5994109425010.742397831155-0.908589577479-0.06200506337360.7093503140390.03152590398140.01823836080980.8126970081870.1114085366260.340903018612-44.9147741406-29.091785580921.5203423362
168.739683027378.019432028752.425943347537.190986312192.195835044438.02475886462-0.02910881472870.3543629899090.101750502205-0.321506384438-0.1147031809290.867537342283-0.2369883833150.5604784208290.205580994310.4908336442240.06545247429940.09540416456170.56605359120.07175024342280.740184097404-41.0924318776-25.075169971935.8390623789
176.72349731960.2256672752-2.489354309965.054953223682.285382750771.995306072-0.5009293317831.1835885615-0.649177126775-1.805703064980.7263862153720.458614943249-0.141083992668-0.7002621275970.1150066816651.0936978537-0.05934513614450.08891447727890.8095290273550.1015474395450.433223360627-57.7347105325-40.222481267123.4858828206
186.54261360601-0.398744341943-3.723283454222.352460623-2.552042985545.33598183936-1.69115492151-0.893886827587-0.187444061488-0.550655229638-1.096002977730.318029951242.26015041197-1.516811756791.100643496340.638021032593-0.1637560298950.1315411409580.877493437994-0.1406116225030.871140178225-76.6804309339-41.867669681243.3934019249
196.60777568790.0301515663937-2.240781445240.743412594322-2.334346014047.401425038280.687697364538-0.569861665670.114910022413-0.242587191309-0.0955510497608-0.549605197781-1.998044155690.145602443988-0.9570361879440.9350246849930.02852246403320.1454317550140.723844505437-0.1135307332130.715615607186-66.6857171233-39.18849487335.4736629673
202.963563718810.7818650556560.2882014547814.57539891531-1.093093832950.3755567790981.5860763398-0.2940472459470.7080285071250.765261658055-0.6496455991790.291299316485-1.91802400876-0.3316558476430.5833700538761.510560024880.09227878073580.67701081180.441594611054-0.0525557003461.45399761078-66.6209005257-31.147913731445.7928915467
215.052943985160.5959648377761.965416050249.66693845648-0.6726544002940.840017467834-0.4140411916610.452994490558-0.636858339617-0.8850901962511.786765843641.663410315560.1585527945481.02605776591.635989960340.6402552985170.05275375420730.1963641097920.6852425761630.02140709930790.590899285401-62.1709769348-48.209563436333.2173115055
225.642720849420.6485714993991.919192236083.652041667644.026044388148.22029289971-0.0187932065588-0.4396053963470.7711343070711.36521337392-0.4714968987180.561995920445-0.0337970019217-1.379292522480.05191504386330.983868771304-0.008263885347720.2856631512840.513317481038-0.1540131532910.786345091461-73.2250488092-35.811880644445.969379256
233.182799676230.617019785925-2.299871829071.60963653072.049001252125.371262073340.3385276559750.89029748011.280714494880.4235137057680.2426050168910.166809169232-2.47000017838-1.39137057537-0.5418321843471.587198936060.2614467766750.2519751552410.8914746893210.1203688515660.850321941-71.7183653796-33.143526963333.8076993088
245.00313625018-0.06818592326820.3045433451853.67778279721-0.7098753809362.44161212374-0.34741014246-0.845437243479-0.6072387234740.6397133047830.122643672174-0.4705749006571.493608526790.6195008498210.08566301699411.06245727563-0.0139157243953-0.01895516880870.609383954952-0.0392301453960.507024311914-36.5829950767-40.542343037550.5716620254
255.764300203320.5515343363270.02900932690174.76433973528-0.7191038342943.719090229380.0950511150686-0.73549203335-0.1915689458250.320529061867-0.0585503203359-0.3149894196230.2211138444910.261766110851-0.0981930289890.789322039495-0.04652359011070.06354534749950.6919918464650.01394347485460.491840894974-34.4892007955-30.391489007648.1763626194
261.84889188930.8637156781792.624773130412.68877251165-2.070312657857.32477433230.09129938170690.1039934838170.561649093419-0.06382371489320.1818600526670.3315353657960.0163600598468-0.251539422013-0.4990922573340.849053048297-0.02435447226130.01894396260040.6338745937430.01584991279710.520949813924-38.1421160992-33.355890181144.9315871404
273.602682622541.084333251120.1275951605510.2739897777160.05512228338980.3053701828750.491916689976-0.184906012791-0.2800232969750.0719610452107-0.2975220786640.06573657248010.5484133409590.0728217951183-0.06892586442950.856210050645-0.09233352273860.2325551414870.57725651088-0.02794951236130.656819377424-58.5644451694-44.669178712354.3738424605
286.483916418372.11558343772.057306098170.9057447370240.5941937504734.51460330055-0.516913106671-0.1046488006141.203155472650.258998085055-0.2561484570560.885490379414-0.196904939245-0.9040321893630.1385478158280.842907216261-0.01976270438780.1215675608580.7668314386750.04027131433690.770481397992-74.2588981918-47.644407266840.1357419517
296.322489300221.642503671523.077881740473.027775456830.8891667197652.169484849730.1177600922050.302649918953-0.4032071919620.2777130932150.0939501097786-0.205221780915-0.02768645400560.452025670455-0.1136284927130.73416354483-0.002366645950290.1442945662420.5352012521620.004798726176830.52819908743-62.9366168264-51.78341992148.1165813239
307.371728717391.176887483220.2896093389141.52299437555-0.481490894835.036482644190.5363733557850.706934987975-1.94356177505-0.634830207171-0.236076778866-0.5710032611440.411630872830.0190453730744-0.05111619305180.874916533872-0.07843031241990.1239802156930.63836877777-0.1444587733180.591470587832-72.7242244654-54.055650157239.0169421757
314.456157263220.5107999666022.178940763010.8557517685460.8785064368444.365522552520.02831881703870.203092273090.4124618257440.223350026905-0.2789682675570.3690553208070.03695836394640.28917584662-0.1470484052480.758788370724-0.1687644657840.01764187604990.5880999315080.06607527834780.689333483656-73.4516638791-56.005528926351.3392741476
325.262490432660.184841729473-0.901602865762.857467443080.9145039660866.463002183140.113264442797-0.295350623642-0.7402182704520.509748312886-0.03579791502510.003835177953150.6560613583680.3920938783-0.339846227940.778945972254-0.1510528915080.05711534148980.618464684209-0.1459031755990.610492993447-2.11657554522-13.176142940629.4680024311
336.18330278784-0.57385302031-6.777103167326.327409640350.6664265686787.49715898051-0.145732411453-0.630817107965-0.08536760797940.138850933770.1333891169670.1942272131110.01985519474410.6077530003830.07311486379260.453522514664-0.0232875853208-0.1688618949340.634655173522-0.09910264781740.613375703454-0.437136037923-19.823614909821.295042012
343.48736934472-0.926299526513-3.141137310252.4886772232-1.422832238844.817825669720.155962879761-0.384045981023-0.08982247015290.212549486888-0.0736162578088-0.5324198524250.3863801173320.431580365282-0.08906371035920.591365333494-0.0384349184059-0.009393451418690.631017460153-0.111353203470.588089171059-6.93031888206-19.303752462219.7104493825
359.41566104416-2.06279515759-2.149968726974.846359176290.1067121302356.449357706650.0694116617403-0.1644166175760.550882579311-0.706446035108-0.227195449124-0.405345274225-0.125349133012-0.5915522107260.02667533188630.547128135905-0.0343085787999-0.08353754526430.4589795613640.03227407035150.459432883822-15.741863535-19.830263333722.2138494506
362.34819259172-1.84210364183.919807506316.81025219984-1.122569503967.05640165898-0.310732715447-2.213531783911.295650273451.197005352490.250886240658-1.267732430690.04875413465430.354334967935-0.2032604408440.7193837129580.166412014214-0.09109059511071.27388942664-0.05863404351750.609791977379-10.2529156846-21.909490896543.4802351783
376.431469492180.7595778899631.56972701471-0.04353146811150.1942296415023.560522125980.148801636681-0.6086912912370.9410875474240.06208044075770.07138846503640.29988563141-0.706995242143-0.307847993699-0.2903113472920.7425154551220.05176047028030.1225961029750.478827117746-0.04944994301410.769707240103-28.6060656715-9.5380210661333.703364842
381.46193787921.728524204722.257596557113.278868856871.78405901298.038075303340.665415384351-0.135053936792-0.2858954417480.201747371083-0.0979963752221-0.1471837772391.56429263869-1.44364275991-0.6048619438860.871976807229-0.191175735097-0.2643141949740.8864638116190.3243435775720.715836228121-15.3285671317-27.581210513841.1082734895
396.521368295322.76175041313-4.430264614747.74357417061-3.976754990868.227158631490.304902998442-0.1858211510110.503923766372-0.4368342292840.2167591878440.624794488349-0.3318205468520.331025245635-0.08389530324150.4838637478810.0438470458271-0.02403251980680.531281448065-0.0274809748180.465186948979-3.72051831257-13.937603830717.5525005905
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'H' and (resid 1 through 33 )HA1 - 331 - 33
22chain 'H' and (resid 34 through 99 )HA34 - 9934 - 99
33chain 'H' and (resid 100 through 142 )HA100 - 142100 - 137
44chain 'H' and (resid 143 through 196 )HA143 - 196138 - 191
55chain 'H' and (resid 197 through 222 )HA197 - 222192 - 217
66chain 'L' and (resid 1 through 18 )LB1 - 181 - 18
77chain 'L' and (resid 19 through 75 )LB19 - 7519 - 75
88chain 'L' and (resid 76 through 114 )LB76 - 11476 - 114
99chain 'L' and (resid 115 through 151 )LB115 - 151115 - 151
1010chain 'L' and (resid 152 through 173 )LB152 - 173152 - 173
1111chain 'L' and (resid 174 through 198 )LB174 - 198174 - 198
1212chain 'L' and (resid 199 through 214 )LB199 - 214199 - 214
1313chain 'A' and (resid 1 through 17 )AD1 - 171 - 17
1414chain 'A' and (resid 18 through 72 )AD18 - 7218 - 72
1515chain 'A' and (resid 73 through 90 )AD73 - 9073 - 90
1616chain 'A' and (resid 91 through 111 )AD91 - 11191 - 111
1717chain 'A' and (resid 112 through 124 )AD112 - 124112 - 124
1818chain 'A' and (resid 125 through 140 )AD125 - 140125 - 135
1919chain 'A' and (resid 141 through 159 )AD141 - 159136 - 154
2020chain 'A' and (resid 160 through 170 )AD160 - 170155 - 165
2121chain 'A' and (resid 171 through 180 )AD171 - 180166 - 175
2222chain 'A' and (resid 181 through 198 )AD181 - 198176 - 193
2323chain 'A' and (resid 199 through 218 )AD199 - 218194 - 213
2424chain 'B' and (resid 1 through 18 )BG1 - 181 - 18
2525chain 'B' and (resid 19 through 76 )BG19 - 7619 - 76
2626chain 'B' and (resid 77 through 103 )BG77 - 10377 - 103
2727chain 'B' and (resid 104 through 120 )BG104 - 120104 - 120
2828chain 'B' and (resid 121 through 141 )BG121 - 141121 - 141
2929chain 'B' and (resid 142 through 174 )BG142 - 174142 - 174
3030chain 'B' and (resid 175 through 190 )BG175 - 190175 - 190
3131chain 'B' and (resid 191 through 214 )BG191 - 214191 - 214
3232chain 'E' and (resid 333 through 353 )EI333 - 3531 - 21
3333chain 'E' and (resid 354 through 380 )EI354 - 38022 - 48
3434chain 'E' and (resid 381 through 409 )EI381 - 40949 - 77
3535chain 'E' and (resid 410 through 437 )EI410 - 43778 - 105
3636chain 'E' and (resid 438 through 451 )EI438 - 451106 - 119
3737chain 'E' and (resid 452 through 494 )EI452 - 494120 - 162
3838chain 'E' and (resid 495 through 506 )EI495 - 506163 - 174
3939chain 'E' and (resid 507 through 527 )EI507 - 527175 - 195

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