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- PDB-7zfc: SARS-CoV-2 Beta RBD in complex with nanobody C1, Omi-18 and Omi-3... -

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Basic information

Entry
Database: PDB / ID: 7zfc
TitleSARS-CoV-2 Beta RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
Components
  • Nanobody C1
  • Omi-18 heavy chain
  • Omi-18 light chain
  • Omi-31 heavy chain
  • Omi-31 light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 / Beta / Omicron / BA.1 / BA.2 / RBD / antibody / Fab / Omi-18 / Omi-31 / VIRAL PROTEIN/IMMUNE SYSTEM
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 / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / 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 speciesHomo sapiens (human)
Lama glama (llama)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.24 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: Rungtiwa Nutalai / Daming Zhou / Aekkachai Tuekprakhon / Helen M Ginn / Piyada Supasa / Chang Liu / Jiandong Huo / Alexander J Mentzer / Helen M E Duyvesteyn / Aiste Dijokaite-Guraliuc / ...Authors: Rungtiwa Nutalai / Daming Zhou / Aekkachai Tuekprakhon / Helen M Ginn / Piyada Supasa / Chang Liu / Jiandong Huo / Alexander J Mentzer / Helen M E Duyvesteyn / Aiste Dijokaite-Guraliuc / Donal Skelly / Thomas G Ritter / Ali Amini / Sagida Bibi / Sandra Adele / Sile Ann Johnson / Bede Constantinides / Hermione Webster / Nigel Temperton / Paul Klenerman / Eleanor Barnes / Susanna J Dunachie / Derrick Crook / Andrew J Pollard / Teresa Lambe / Philip Goulder / / Neil G Paterson / Mark A Williams / David R Hall / Juthathip Mongkolsapaya / Elizabeth E Fry / Wanwisa Dejnirattisai / Jingshan Ren / David I Stuart / Gavin R Screaton /
Abstract: Highly transmissible Omicron variants of SARS-CoV-2 currently dominate globally. Here, we compare neutralization of Omicron BA.1, BA.1.1, and BA.2. BA.2 RBD has slightly higher ACE2 affinity than BA. ...Highly transmissible Omicron variants of SARS-CoV-2 currently dominate globally. Here, we compare neutralization of Omicron BA.1, BA.1.1, and BA.2. BA.2 RBD has slightly higher ACE2 affinity than BA.1 and slightly reduced neutralization by vaccine serum, possibly associated with its increased transmissibility. Neutralization differences between sub-lineages for mAbs (including therapeutics) mostly arise from variation in residues bordering the ACE2 binding site; however, more distant mutations S371F (BA.2) and R346K (BA.1.1) markedly reduce neutralization by therapeutic antibody Vir-S309. In-depth structure-and-function analyses of 27 potent RBD-binding mAbs isolated from vaccinated volunteers following breakthrough Omicron-BA.1 infection reveals that they are focused in two main clusters within the RBD, with potent right-shoulder antibodies showing increased prevalence. Selection and somatic maturation have optimized antibody potency in less-mutated epitopes and recovered potency in highly mutated epitopes. All 27 mAbs potently neutralize early pandemic strains, and many show broad reactivity with variants of concern.
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: Omi-31 heavy chain
L: Omi-31 light chain
M: Nanobody C1
A: Omi-18 heavy chain
B: Omi-18 light chain
E: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,7167
Polymers131,3496
Non-polymers3671
Water0
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13620 Å2
ΔGint-50 kcal/mol
Surface area50970 Å2
Unit cell
Length a, b, c (Å)105.000, 105.000, 234.476
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Space group name HallP312"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+1/3
#3: -x+y,-x,z+2/3
#4: x-y,-y,-z+2/3
#5: -x,-x+y,-z+1/3
#6: y,x,-z

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Components

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Antibody , 5 types, 5 molecules HLMAB

#1: Antibody Omi-31 heavy chain


Mass: 24802.873 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 Omi-31 light chain


Mass: 22780.051 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 Nanobody C1


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)
#4: Antibody Omi-18 heavy chain


Mass: 23376.338 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-18 light chain


Mass: 22833.049 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

#6: Protein Spike protein S1 / SARS-CoV-2 Beta Spike protein


Mass: 22897.684 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
#7: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(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: 2.84 Å3/Da / Density % sol: 56.7 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.04 M Potassium phosphate monobasic, 16% w/v PEG 8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Mar 4, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.24→85 Å / Num. obs: 24674 / % possible obs: 100 % / Redundancy: 14.1 % / Biso Wilson estimate: 125.44 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.265 / Rpim(I) all: 0.073 / Net I/σ(I): 6.6
Reflection shellResolution: 3.24→3.29 Å / Mean I/σ(I) obs: 0.3 / Num. unique obs: 1231 / CC1/2: 0.298

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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: 7PS4

7ps4


Resolution: 3.24→84.78 Å / SU ML: 0.6484 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 33.6053
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2987 1201 4.89 %
Rwork0.2442 23357 -
obs0.2469 24558 99.63 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 146.06 Å2
Refinement stepCycle: LAST / Resolution: 3.24→84.78 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8919 0 24 0 8943
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00219178
X-RAY DIFFRACTIONf_angle_d0.508312526
X-RAY DIFFRACTIONf_chiral_restr0.04241409
X-RAY DIFFRACTIONf_plane_restr0.00431613
X-RAY DIFFRACTIONf_dihedral_angle_d11.51863247
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.24-3.370.42521510.38012512X-RAY DIFFRACTION98.05
3.37-3.520.33961300.33952557X-RAY DIFFRACTION99.93
3.52-3.710.37121200.32832564X-RAY DIFFRACTION99.96
3.71-3.940.35351090.30932568X-RAY DIFFRACTION99.85
3.94-4.240.32971330.2662578X-RAY DIFFRACTION99.96
4.24-4.670.26141290.22632595X-RAY DIFFRACTION99.96
4.67-5.340.29251370.2212621X-RAY DIFFRACTION100
5.34-6.730.30561660.23972592X-RAY DIFFRACTION100
6.73-84.780.25171260.19882770X-RAY DIFFRACTION99.11
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)
18.98451809069-6.95002268127-6.352156013146.180487135186.492695157426.030333399741.399987457390.30740507711-0.273319325062-0.215611625188-0.7350389402770.412497407871-2.87897087688-0.457610924051-1.131663993151.10836563739-0.1269566341340.1155928043721.16481394760.2546658269981.4546115653226.38658690148.6107535739422.1275174457
23.304820260151.66047129466-0.2616154255653.71431669282.393275088784.42633959698-0.4219519007930.2099977281280.355481624701-0.1582796848810.6925592572310.398435992727-0.231197913190.777867067468-0.09975790623390.788099403953-0.172819781781-0.006928251337960.824891320649-0.1295674001571.108654368625.922140323-0.27684225331131.6130485166
30.5023752890761.293597954210.9504078902672.01388945925-3.068727917827.55156546809-0.266910818442-0.234102369864-0.08198988972780.332218054643-0.364116640665-0.6278495366790.1348424395691.63100850739-0.0546798376611.1261232988-0.1397051061840.05969956183951.126234212810.1008865368671.4701860226929.3622689217-1.0381474053430.9923971481
47.53299844497-1.10406806159-2.132290997453.97148906291.585259306314.7204508269-0.4372895365960.7358493628391.22244736841-1.13264178430.4064372221670.03693902805930.468819461806-0.6323256251330.4659907314130.928315661431-0.346300469366-0.2367049818151.020442681840.06082305321511.4043265659824.91666785313.8201462763116.782838721
55.08280734806-0.09664188006624.084866172266.589067439822.613369843734.28557554727-2.17446464672-1.05399842536-0.2567083547680.103737575949-0.2208079887561.89876374695-1.165978198011.639887177260.1489919809032.75405763337-1.3302338663-0.1449480547682.758530334510.7046901696473.0376463616713.08511716522.26833303991-16.2734508703
64.289577423524.096873736671.202195377758.79817735011-3.031526098353.89512975969-4.03925395281.08328432123.1089205282-1.088578708732.523457792473.82392667629-2.92831467014-0.671146064158-0.07158464559312.81113308183-0.456848241114-0.3232779892381.808630568710.4897705406751.4939713675117.48794042448.06164220825-4.25881952702
74.730827815215.904450768972.416909721489.997010092181.728366199059.23708265884-1.1623774365-2.54313689575-1.293851451-1.72530440630.5586429933210.20170851082-0.9361934992170.7739703413730.2829923207441.55461810194-0.267575230546-0.1823178599471.261458302640.3074465637131.4901702099318.82605877182.84482516258-1.58773902166
84.98600356826-3.69528789586-0.4355441618465.8078109052-2.009226151761.53791371703-0.1460009440990.0214098457462-0.0180584260962-1.26368422360.8519246796081.58136409243-0.0433766816466-2.62722881777-0.6956785456391.84642277137-0.247468942873-0.6440445483732.087998934370.6154671282121.9262491366213.107136789811.5636555388-9.26063773508
95.264720755931.478050054490.6103624222072.248388446383.130532954684.212247735470.07505289689920.635804358817-0.299740592159-0.320622734293-0.10488427363-0.04374319355830.7456427237420.205877599212-0.06100859965621.04739228846-0.0982569003662-0.04438770517460.9575570626440.05433047711751.1900113055816.4852083896-16.204987719925.1704482525
106.340993485352.170320329382.143694363656.54458074859-0.344714611035.74205767920.442210052081-0.534110293711-0.272946033399-0.27573537529-0.3725011557210.03301940290040.969803628816-0.0973619482628-0.0419582871031.06417316074-0.0340222144046-0.07741078368750.9508229705120.08620742874331.0257157502414.3306528454-14.268916526729.2250549409
110.1498205906930.2565236818490.9976088281842.03384193036-2.635340603757.9654996493-0.1526408047380.6936791817711.31132364287-1.31652680730.4619843709751.239474559421.02984665028-0.7632142667330.3828398114611.57863931787-0.328000494602-0.1443250377851.987969568180.1570389042491.212459865499.9833353388-13.16628694753.59700189772
127.652103197370.839327818542.966519001010.3764732321281.023014593292.89031568427-1.75309017812-0.04144068335892.20044931676-3.94292771260.1208116522040.5815853291751.79572747291.129480221191.214495261072.56570242541-0.8867014423410.2270907674022.352306434770.2146496204822.2223994353126.36100480385.28370658503-18.1572980992
131.62556830647-2.244442580530.01501621409083.02865098049-2.211304984259.82300124967-0.854478559476-0.341392623079-0.643802729293-3.928509912560.3755699472170.7922343615751.703704595411.73734895671.589097164521.96658026484-0.2621423587210.03526968348821.29302294820.421047427972.3514946099717.1320245476-9.86784072577-6.19317799911
143.38108244183-1.543373476831.261262609390.933589040987-0.6597566839570.507401573805-0.5672839967641.58299940896-0.0432159037187-0.8129782724451.60141498559-0.5263186790892.634567439820.691986615936-1.020729539692.692039510170.109661903320.595727956632.370135489690.2131863375221.8665113176827.8449528026-12.231236815-11.6655617334
153.377884578273.870126753532.164546396914.464603404060.3883101856528.2497676235-1.74225063990.6098586093660.581711898524-2.352643124471.098686251381.184981089761.47473635772-0.8968926192330.670672055031.87452654078-0.4006528923130.2169390273851.391135502990.1911779413371.1758150176319.8367334571-5.03120939487-6.73174218029
167.11723597539-6.665528869380.3261769875446.23766207317-0.3180059668070.02347324926262.27379343756-1.07440255003-1.79648087706-1.25255230488-1.164570123811.66800041430.620906886534-2.31687566840.8337753277582.16326778913-1.702453693020.5454363919373.23477587119-0.1476677259691.4095386837920.3146259035-12.7290696867-15.2126404435
172.08172994901-7.34250850778-0.6221749367736.63111303047-0.7393534655961.06129224942-0.5890411099870.809249926132-3.35216274556-1.842389704370.2395271958130.6832935985420.508692491899-0.0120821680044-0.3524147917733.30732957475-1.431393399-0.2915078842412.494217595710.3898405870711.2774837963115.6069464976-12.7390046989-14.6230269988
186.859519262140.413478920701-6.117267809513.5399050577-0.9010900308675.148870657410.833469775944-1.975277914080.050653946114-0.302764077916-0.447505465983-0.243989984326-0.6746661685612.5964501919-0.6261468922580.911411605402-0.0306409258327-0.1795758203451.83415635283-0.4515751951961.5568903091172.2901886887-6.4360312040164.8677714348
196.03892719323-5.763928224310.1913341027868.87352791477-5.261512934277.67183182378-2.93809328342-0.74468962206-0.7139997934922.112611064052.179606938152.30204702006-0.04826291234032.50802614068-1.014591996661.179791793710.1449086267090.04850026830542.19851136930.1123098125331.4224771139357.2366530948-14.923878826375.3425904477
208.873550638030.616960708092-0.4340626565356.82900179049-3.331202125164.89382557318-0.08240247183190.715051980287-0.6873214758290.4018009719260.0701733874423-1.13087990062-0.16053379968-0.523455497911-0.2788513137750.7332496500440.142006040441-0.07215015988741.27933933121-0.2808455993111.2794606422661.7285262748-10.516561122859.1945102223
213.871037088120.648850380453-1.547310796333.85865176992-0.2534130808412.238855178710.119556508864-0.0444669969418-0.4702133899690.5374008822720.272457538234-0.4901387955710.7032499160740.0995229767677-0.1938954977811.18545516537-0.0307424915304-0.2174594717931.71680703081-0.006213209771051.2710970265569.1750982695-15.590893264462.1179462066
228.041277515021.48992513336-0.6968672168776.94500397554-0.4978408849242.407384825911.226374596910.3042859048470.263572594094-0.371718814139-0.60139658435-0.847883719401-0.1850422558710.111676988356-0.1911706214920.8154466772420.149215936105-0.02921626167161.38413914991-0.1999508568631.3775005547869.6499931143-6.2156847072656.0442455452
235.64935918284-0.6898215436324.410023760872.63312183203-1.178533674432.630291378720.01803436642470.3746323007070.714426542597-0.3212764797180.5838378894441.18783741425-0.24147627099-0.227842044803-0.500345161160.9579505585970.04385973270910.02254615781531.49930140073-0.1380263687581.3083689795460.3154431512-5.9822992898361.9362468729
242.09328517615-0.495872786051.403511895195.10947079717-0.2435077732534.44788114487-0.0182566413196-0.665761786201-0.2337750204940.0353509633338-0.09103290114150.375542547037-0.156650343652-0.1700766262880.1976057552820.912583479483-0.123256136301-0.006338286708051.10877159512-0.1237809598520.95931931381136.59680719716.276050678867.9123612754
253.466208022453.205360162874.409941978694.150932799262.386819103797.003957920841.89058221749-1.34759678334-0.8398287843031.43018959959-2.0901303078-1.684142725460.00378196125739-0.1993799133410.5406253407381.194546747740.110025570872-0.06554406548041.01373722838-0.037540302161.2362331595258.143189128439.866826359471.348275107
261.378004533542.35800046289-1.728261141986.14498168527-3.759367501115.305993872480.338423472048-0.341762247947-0.4853729496820.285573442647-0.224680877593-0.7690697106230.271525075277-0.00284730039281-0.2266237636781.21152846586-0.122264625837-0.1930707658281.23995872540.01083173814291.2753603446959.434345205549.412692305168.2418608836
278.0040432154-2.872951432654.139785921172.2105945464-3.826546109656.86635564817-0.5237034552650.8731923004731.6119051283-1.354401885890.474019953898-0.169310339762-1.070558593370.355725768941-0.2964546210591.06980895731-0.26905559996-0.01426596359671.215647193870.2344440044981.2551945616444.421420437428.564755714342.0909642657
289.936328932662.644224436794.325019051866.41188270046-1.326586526184.02257416711.460813023032.23318787529-1.11785378273-1.58223617793-2.29436658496-2.017901866042.061603002251.46809045663-0.2587952899031.982074615610.3367141490530.2817957236650.7755872657460.004756086392411.3298067444644.657213518113.983520228843.2934992245
292.121991234753.42596741002-0.4276059957628.81806719886-1.459287587321.83801748449-0.442342557316-1.74854830735-0.0853546064324-0.969496512287-0.3316016809510.964808596599-0.8942460127131.384981054160.2834104097791.143109257470.0046532208413-0.1990552457591.152648064040.006349226235931.1416753981835.592971591123.479075806352.296369181
307.16217056730.930646848567-0.2221876021242.30026210338-2.26567604918.79747639531.053961909730.8980162670830.7612337149410.0382265358183-1.810520064522.368641836830.422842186666-0.4314575441910.2435747703941.43078592025-0.153647760320.1232402230871.46824570163-0.1066931126121.8334626387729.130405886619.248195582843.9435319052
312.013630887680.0510293820191-2.004431439018.940816550642.973400253177.58522347279-0.4612532697681.698480481021.54218564766-3.25015966459-0.0418520388931-1.773175609722.43971721328-0.6256631670270.2677690845511.98362493644-0.2118738757140.06261218185661.12787275734-0.1719434132570.92569317626639.922013197917.902068079140.1943319782
326.735512077891.166918278940.2150929437611.91033435695-2.427202638229.056290726540.2228930341240.3303232093421.90463661744-0.77009815571-0.05312355654151.1022438713-0.0305717023951-1.965291769870.1203417622111.45839344602-0.132371391776-0.05346517320220.970161515186-0.1113032818031.4925086911137.58783504827.641257847346.4122369535
333.2920013195-0.06903476344612.25084050517-0.0496440445862-0.244863769911.36215698805-0.4266381935751.52922387828-1.087654965911.189101849060.454223933051-0.863354253399-0.4250791299160.16604271048-0.09295088537691.23038519706-0.015505065852-0.05087745970631.186888348650.0921222021251.4436579232642.95661268611.460012291154.8940093269
345.154657387060.06791957173584.92934206460.5424175643020.9565571267215.83877059021-0.181281007832-2.041277821450.671047886299-1.578214825470.5353935942251.43528853874-0.3617466853011.446430597920.09487259009831.1384925348-0.358074876658-0.01608129578081.138235396050.1585369534871.3683725651747.265853497639.382705454644.0751945822
356.04654163381-0.02814846913993.047725555873.535643512581.462217302734.762435873940.254724249713-0.3490912025790.4607042043660.259342996761-0.5340582130370.1522394021510.4871795278890.254396191759-0.2002324956991.31745002097-0.107441153511-0.08375781933511.238620185950.1341803987651.4566905134564.050364113338.887053822259.7163903936
366.10590957795-0.4793962396361.43395333830.7025130821340.4103158466955.13637439656-0.0694697398463-1.63394562423-1.54345694421-0.6215002894870.7789973824920.5134238309750.765379747966-1.0682583192-0.2919311036741.80924997874-0.0986452301494-0.04218494222391.158942147040.09098461314331.280051381357.227335189135.444295870256.5576678448
378.51239320122-0.7757756989662.038127460011.853942318720.2185587532028.23022083631.103506402410.0492189074279-0.868503265457-0.244014821552-0.107910306154-0.07939116877070.8301489770630.573603966168-0.9781773028591.33094680230.0247805985471-0.121443931721.00318613213-0.07883294087211.3734779411767.941880692135.22978292456.9011625079
387.0867877695-6.08363861203-2.999472976036.085365097484.979320266535.27328197174-0.135199575833-0.517436537447-0.2833233000531.336162129140.5739482316651.771304663910.342100769228-0.4229213926460.1304707037810.819201470034-0.227961765131-0.1534056471811.17561182264-0.1178253690831.1073791347639.7454567049-26.760367990149.3900447947
399.87427661398-3.49330500075-4.08736686578.50813346170.1741967605335.98853976051-0.7444969009440.593341633427-0.346186249718-0.2912396681430.209472395882-0.3447537415071.268271436610.3291826816660.5048040633970.9816496613870.125259420317-0.1356961042371.03569326995-0.1765977084330.83472269212242.7269551884-23.576819841855.7162113837
409.029713185612.019871675432.888603137544.199443272012.715366011586.515405441550.5230070874390.458610382807-2.080805582271.42896307174-0.0842386900748-1.079480322361.017827710351.24561348975-0.4800669434531.031412853320.1996206397090.06225265061321.25001098580.2212498679521.5240639113748.0374665813-25.275290733264.6668061684
412.69155197789-1.535764898520.3590003664912.70758631761-1.776786927962.14905372134-0.340523607056-0.310686355727-0.2356396849310.2965646043370.130091397304-0.2488181653570.0130772134883-0.04297992106070.08025172893790.834523691197-0.0391971014824-0.1064659918991.13979179122-0.1381153977640.91840196357333.237851584-5.7472606587556.0988894999
425.28900462224-0.974204292239-2.031993447148.92948484012-7.235158608365.242294084330.1443552214120.804037057291-0.4222709023260.5104845412670.1834819389590.0596234831674-0.371675180644-0.324953326038-0.7393214964271.08191924114-0.2082768585440.01731458950491.01921330731-0.2369413805371.1770027564943.23874066-14.943744547155.1414393687
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 23 )HA1 - 231 - 23
22chain 'H' and (resid 24 through 61 )HA24 - 6124 - 61
33chain 'H' and (resid 62 through 112 )HA62 - 11262 - 112
44chain 'H' and (resid 113 through 134 )HA113 - 134113 - 134
55chain 'H' and (resid 135 through 149 )HA135 - 149135 - 149
66chain 'H' and (resid 150 through 172 )HA150 - 172150 - 172
77chain 'H' and (resid 173 through 192 )HA173 - 192173 - 192
88chain 'H' and (resid 193 through 228 )HA193 - 228193 - 228
99chain 'L' and (resid 1 through 49 )LB1 - 491 - 49
1010chain 'L' and (resid 50 through 101 )LB50 - 10150 - 101
1111chain 'L' and (resid 102 through 122 )LB102 - 122102 - 122
1212chain 'L' and (resid 123 through 133 )LB123 - 133123 - 133
1313chain 'L' and (resid 134 through 154 )LB134 - 154134 - 154
1414chain 'L' and (resid 155 through 165 )LB155 - 165155 - 165
1515chain 'L' and (resid 166 through 191 )LB166 - 191166 - 191
1616chain 'L' and (resid 192 through 201 )LB192 - 201192 - 201
1717chain 'L' and (resid 202 through 213 )LB202 - 213202 - 213
1818chain 'M' and (resid 1 through 24 )MC1 - 241 - 24
1919chain 'M' and (resid 25 through 32 )MC25 - 3225 - 32
2020chain 'M' and (resid 33 through 60 )MC33 - 6033 - 60
2121chain 'M' and (resid 61 through 83 )MC61 - 8361 - 83
2222chain 'M' and (resid 84 through 99 )MC84 - 9984 - 99
2323chain 'M' and (resid 100 through 124 )MC100 - 124100 - 124
2424chain 'A' and (resid 1 through 110 )AD1 - 1101 - 110
2525chain 'A' and (resid 111 through 138 )AD111 - 138111 - 134
2626chain 'A' and (resid 139 through 219 )AD139 - 219135 - 215
2727chain 'B' and (resid 4 through 17 )BE4 - 171 - 14
2828chain 'B' and (resid 18 through 31 )BE18 - 3115 - 28
2929chain 'B' and (resid 32 through 47 )BE32 - 4729 - 44
3030chain 'B' and (resid 48 through 60 )BE48 - 6045 - 57
3131chain 'B' and (resid 61 through 74 )BE61 - 7458 - 71
3232chain 'B' and (resid 75 through 89 )BE75 - 8972 - 86
3333chain 'B' and (resid 90 through 102 )BE90 - 10287 - 99
3434chain 'B' and (resid 103 through 114 )BE103 - 114100 - 111
3535chain 'B' and (resid 115 through 151 )BE115 - 151112 - 148
3636chain 'B' and (resid 152 through 172 )BE152 - 172149 - 169
3737chain 'B' and (resid 173 through 210 )BE173 - 210170 - 207
3838chain 'E' and (resid 331 through 349 )EF331 - 3491 - 19
3939chain 'E' and (resid 350 through 375 )EF350 - 37520 - 45
4040chain 'E' and (resid 376 through 394 )EF376 - 39446 - 64
4141chain 'E' and (resid 395 through 494 )EF395 - 49465 - 164
4242chain 'E' and (resid 495 through 523 )EF495 - 523165 - 193

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