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- PDB-7pqz: Crystal structure of the receptor binding domain of SARS-CoV-2 Sp... -

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Basic information

Entry
Database: PDB / ID: 7pqz
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs
Components
  • FD-11A Fab heavy chain
  • FD-11A Fab light chain
  • FI-3A Fab heavy chain
  • FI-3A Fab light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 antibody / receptor-binding-domain / RBD / spike / neutralisation / FI-3A / FD-11A / FD-5D / 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 / host cell endoplasmic reticulum-Golgi intermediate compartment membrane ...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 / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / entry receptor-mediated virion attachment to host cell / 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
PHOSPHATE ION / Spike glycoprotein
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 United Kingdom
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 United Kingdom
CitationJournal: Theranostics / Year: 2022
Title: Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Authors: Kuan-Ying A Huang / Daming Zhou / Tiong Kit Tan / Charles Chen / Helen M E Duyvesteyn / Yuguang Zhao / Helen M Ginn / Ling Qin / Pramila Rijal / Lisa Schimanski / Robert Donat / Adam Harding ...Authors: Kuan-Ying A Huang / Daming Zhou / Tiong Kit Tan / Charles Chen / Helen M E Duyvesteyn / Yuguang Zhao / Helen M Ginn / Ling Qin / Pramila Rijal / Lisa Schimanski / Robert Donat / Adam Harding / Javier Gilbert-Jaramillo / William James / Julia A Tree / Karen Buttigieg / Miles Carroll / Sue Charlton / Chia-En Lien / Meei-Yun Lin / Cheng-Pin Chen / Shu-Hsing Cheng / Xiaorui Chen / Tzou-Yien Lin / Elizabeth E Fry / Jingshan Ren / Che Ma / Alain R Townsend / David I Stuart /
Abstract: Administration of potent anti-receptor-binding domain (RBD) monoclonal antibodies has been shown to curtail viral shedding and reduce hospitalization in patients with SARS-CoV-2 infection. However, ... Administration of potent anti-receptor-binding domain (RBD) monoclonal antibodies has been shown to curtail viral shedding and reduce hospitalization in patients with SARS-CoV-2 infection. However, the structure-function analysis of potent human anti-RBD monoclonal antibodies and its links to the formulation of antibody cocktails remains largely elusive. Previously, we isolated a panel of neutralizing anti-RBD monoclonal antibodies from convalescent patients and showed their neutralization efficacy . Here, we elucidate the mechanism of action of antibodies and dissect antibodies at the epitope level, which leads to a formation of a potent antibody cocktail. We found that representative antibodies which target non-overlapping epitopes are effective against wild type virus and recently emerging variants of concern, whilst being encoded by antibody genes with few somatic mutations. Neutralization is associated with the inhibition of binding of viral RBD to ACE2 and possibly of the subsequent fusion process. Structural analysis of representative antibodies, by cryo-electron microscopy and crystallography, reveals that they have some unique aspects that are of potential value while sharing some features in common with previously reported neutralizing monoclonal antibodies. For instance, one has a common VH 3-53 public variable region yet is unusually resilient to mutation at residue 501 of the RBD. We evaluate the efficacy of an antibody cocktail consisting of two potent non-competing anti-RBD antibodies in a Syrian hamster model. We demonstrate that the cocktail prevents weight loss, reduces lung viral load and attenuates pulmonary inflammation in hamsters in both prophylactic and therapeutic settings. Although neutralization of one of these antibodies is abrogated by the mutations of variant B.1.351, it is also possible to produce a bi-valent cocktail of antibodies both of which are resilient to variants B.1.1.7, B.1.351 and B.1.617.2. These findings support the up-to-date and rational design of an anti-RBD antibody cocktail as a therapeutic candidate against COVID-19.
History
DepositionSep 20, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 2, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 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

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Assembly

Deposited unit
E: Spike protein S1
H: FI-3A Fab heavy chain
L: FI-3A Fab light chain
A: FD-11A Fab heavy chain
B: FD-11A Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,7088
Polymers118,0945
Non-polymers6143
Water0
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area11040 Å2
ΔGint-70 kcal/mol
Surface area46890 Å2
MethodPISA
Unit cell
Length a, b, c (Å)115.813, 115.813, 237.778
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 , 4 types, 4 molecules HLAB

#2: Antibody FI-3A Fab heavy chain


Mass: 23521.436 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 FI-3A Fab light chain


Mass: 23364.842 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 FD-11A Fab heavy chain


Mass: 25032.070 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 FD-11A Fab light chain


Mass: 23024.381 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 / Non-polymers , 3 types, 4 molecules E

#1: Protein Spike protein S1


Mass: 23150.891 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 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#7: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO4

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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: 3.9 Å3/Da / Density % sol: 68.45 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 2.9 M sodium formate 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: 0.97629 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Dec 9, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97629 Å / Relative weight: 1
ReflectionResolution: 3.2→100 Å / Num. obs: 31254 / % possible obs: 100 % / Redundancy: 98.9 % / Biso Wilson estimate: 145.75 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.263 / Rpim(I) all: 0.027 / Net I/σ(I): 13.6
Reflection shellResolution: 3.2→3.26 Å / Redundancy: 103.3 % / Mean I/σ(I) obs: 0.3 / Num. unique obs: 1532 / CC1/2: 0.381 / % possible all: 98.9

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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: 7PQY

7pqy


Resolution: 3.2→76.66 Å / SU ML: 0.457 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.0473
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2401 1683 5.41 %
Rwork0.2006 29438 -
obs0.2028 31121 99.69 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 167.1 Å2
Refinement stepCycle: LAST / Resolution: 3.2→76.66 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8045 0 38 0 8083
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00228277
X-RAY DIFFRACTIONf_angle_d0.510911270
X-RAY DIFFRACTIONf_chiral_restr0.04161256
X-RAY DIFFRACTIONf_plane_restr0.00461445
X-RAY DIFFRACTIONf_dihedral_angle_d10.96142937
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.30.40441200.38522357X-RAY DIFFRACTION96.53
3.3-3.40.37561520.33452430X-RAY DIFFRACTION100
3.4-3.520.30381560.30672376X-RAY DIFFRACTION99.96
3.52-3.660.28521330.26362418X-RAY DIFFRACTION100
3.66-3.830.27371420.25472447X-RAY DIFFRACTION100
3.83-4.030.25991430.22062422X-RAY DIFFRACTION100
4.03-4.290.24771330.21432444X-RAY DIFFRACTION100
4.29-4.620.23231600.1752437X-RAY DIFFRACTION100
4.62-5.080.21671450.18282455X-RAY DIFFRACTION100
5.08-5.820.29191200.18712503X-RAY DIFFRACTION100
5.82-7.330.26231260.20552516X-RAY DIFFRACTION100
7.33-76.660.18981530.16722633X-RAY DIFFRACTION99.71
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)
14.3061978404-2.89686261292-0.8766177740061.989841284030.847560696597.75991969765-0.0832569092106-0.0819343904130.6357744436211.216756404950.394003374198-0.7327064186660.391944311691-0.271393202427-0.01792131460531.29486111274-0.02698510094360.03356063944641.72777139459-0.1792314230331.7224954427-24.319241334315.5848551587-19.0458545245
21.78009166258-0.05446322780550.8225468667433.87301073682.458235138035.49900193783-0.5032227712980.7283985571580.5103895509170.532823263785-0.4342295817511.773314903261.01533834557-1.674572753910.3669452285961.62831526364-0.3352157370790.506393383211.82197128702-0.1807551910161.6538331297-32.6279631548.1015461315-25.4697884401
31.974428542221.34708352924-0.1863244564572.63741649977-2.095494865042.248611648850.1455808251910.3758649603-0.894840663007-1.60292743149-0.526274434354-0.2752064580110.637194628693-1.143314859880.2889853363241.57164989833-0.2772698159610.4386028394371.80812712355-0.2982019130041.8969952167-27.403923668711.3401858071-27.9622246181
40.6904109741181.269477553840.6819149046725.44726643495-2.673049231474.15380959223-0.1455000045920.504024962235-0.224407693812-0.4053701849860.05000776194230.8030349245490.3427136204880.2167308235040.04556554512261.06980755291-0.04465354177350.2279479135592.02211424281-0.408586695861.47490769227-32.002809287723.0169489696-31.7942043734
50.444953444493-0.822161811324-0.149047986465.03940266372-1.424987012222.06757063956-0.174952708020.166012218273-0.2465297801870.3101612285620.0463238127999-0.247223286220.0615830692759-0.1171424632380.4384946028651.02636702565-0.1836789510550.1570075674051.93092612838-0.1604795665341.43988971557-21.448499097935.887257312-27.004048404
65.137335758890.138706895652-1.988560633735.72793526274-2.528298064685.84617382351-0.6757837864050.232842660805-0.264843290981-0.7828677617090.8925725319682.18908744402-1.19040393751-0.379583153297-0.09053890415721.236328951420.03629111950910.2063553927851.64686102699-0.0970341730741.50852399103-36.523593396933.1003293946-17.0040058914
70.8063903940041.539496513960.01425716877054.70955198361-1.730633192191.36398920680.4521650549970.5290153546630.680970387727-0.878404323014-0.380923190199-2.049398136011.61312034936-0.9367217832540.2193491227021.62056964358-0.088428725830.5169383756481.91481056633-0.2268328949181.33683021155-27.611331133710.8776541357-26.7542599053
84.99069535616-4.248088692194.541522873624.08827675554-4.708512801295.53903540911-0.2811825265370.2648309025740.937141234468-0.518636820549-1.194148349580.6151308157780.1069459542150.5146478701521.21298750321.26399872975-0.04819951012040.1647460084662.15173387626-0.1350686929331.39387422555-37.198803353553.5049836563-50.814630962
98.43853398172-2.891259199977.258858934114.21720532086-1.968465390555.751915531820.1935566787240.624636872584-0.366357748611-0.391197920561-0.3766422936990.2493334706730.4040164678060.528596048786-0.05931387943451.042044758490.0807551688848-0.1262098326552.0555884982-0.2828652912871.10762818546-34.893836671944.6543814812-44.3116991691
105.73791820506-2.824089625815.523524710616.29746923531-3.305861627157.229136852680.2346915411641.168628475060.111779038534-0.701542125934-0.0310187695921.261685187670.2566143465381.62393561565-0.2491121680691.17629850126-0.03483592467370.07814422004972.46765677679-0.4630015905421.36461006274-43.346021125348.7139959596-46.8191858881
112.45333463527-0.9847111750192.740887580938.42930435955-0.6126748425198.74055754957-0.4460728933580.0342383261761.88117666878-0.06438436143330.128734040396-2.278282156510.6010586122780.4062525494070.2457417761081.02771141616-0.1369683553320.2735446448951.78980695691-0.387369652861.40084468725-30.512091174550.9108892772-33.4258642104
123.48322848069-4.39026352792-1.215166392894.277427582930.9479746610410.860080306388-0.2755173478070.5708347235510.550060352928-0.04872418598621.092807750110.3618358436480.255713537560.000793209678716-0.7882662013511.13115448809-0.0924215001324-0.156172716832.20121163803-0.1502057950741.52105398748-49.674600946671.414440887-53.2606392082
136.672155216560.281130064242.484010035022.927095382372.921727170334.09715692022-0.02280006719981.756656260960.0721671410227-0.1650964793650.94674273624-0.427506660973-0.2769577175230.823810489144-0.1444630610081.273081347250.131720319733-0.1898423558792.26105754096-0.009104362308791.69842250466-47.67083627973.4294565578-50.6503877279
141.659351852880.6827707679543.896207856339.067685729411.232740295956.036192937990.1941753097810.7224732686210.767563180369-0.339120912278-0.161952190415-0.4075708161410.1657242632660.5209498840920.06397174357791.1441755463-0.106388335274-0.07649200141321.98639947955-0.2594940175391.61308246243-45.748336290978.1269202155-47.7358145985
153.160952949112.184519732232.417408831051.554268555730.9766215884676.711966196870.3474379840831.57235570115-0.144764576589-0.633335130534-1.1708798727-0.409596815923-0.35873423261-0.1178156300470.09170487660581.23392441283-0.103484611320.04063960725212.118266002030.04041095338891.68600305972-44.364274096879.2542389763-57.2139112206
164.55305256381-1.50852735217-1.061835357465.250421109881.655426706745.1741618709-0.342225358601-0.498386856903-0.163848946840.574391300288-0.1225182489010.18355633906-0.03484692282870.1977738931360.5565792063880.9531429864840.0673881761813-0.004398349655911.84678557707-0.1128604368071.21698527223-42.17834925855.0230941617-23.2607563833
170.466513920995-2.58810439424-2.131352782029.262282378626.273724236915.0641489698-0.802606382820.63226022473-0.8812059778893.02240397173-0.6689911499392.753332359150.839716067497-0.8080648790581.070746545651.03597674576-0.137058540661-0.07186627425521.92188967776-0.2964045329751.46912495863-47.343352057158.7908504562-28.0271268524
184.65738687889-2.390950703544.821168458762.96825040639-0.5065256747156.961328420920.09079440880460.4150577095980.127703988385-0.236339391738-0.4383670741990.228065715208-0.2505950974420.01212959546470.3062460329711.00870921513-0.0297913576135-0.1157520983931.92574989903-0.139646772141.54367778483-61.023493639380.3424583692-44.2406540343
194.87984990632-1.02204101567-1.300809445472.85759072571-1.136395139357.54782711829-0.5229874193370.07800841183050.6386332657282.57436530547-0.0768240899581-0.002817480101951.118368200041.18296027142-0.3295895816981.537111928030.108741592524-0.446909160522.13161157305-0.1355293009981.65595036596-21.740799236226.530755932922.6616175307
205.563329542961.238253910590.1651193574958.28809503504-0.05126560976185.069327630620.00637427283806-0.2420957167520.133246681870.8672676312020.371154340995-1.29528815632-0.07892836405541.26187315981-0.3767154439641.491606133870.0837556460287-0.1604384310621.71185940503-0.2224239185231.50851377032-23.138284335830.830988521713.3153819665
216.370154573761.4401258629-3.448062082364.82339607504-0.4692015074139.56893124799-0.3299051469391.25193385411-1.062968371950.166766819660.314286584577-1.800575826420.3774155481110.566670016838-0.3265616050311.173738879140.2262143895730.07197533849831.58136603617-0.2243348047021.62119845085-27.389257036724.13825715270.623964532245
225.063810923690.936479160348-2.703922117612.6055238308-1.363779030421.995080114951.28643597675-0.0810233070256-1.096037827351.286567735640.649015356879-0.501404425725-1.09742891499-1.83086290211-0.55204918062.393483148280.071473614415-0.4695039268541.21312705324-0.165299938531.61111267267-28.140277347130.79987514735.7032378936
234.078147689641.048083331232.030049139046.815509791482.526901296967.068836291220.278447206273-0.1575591673930.5234512528751.700346624010.9070540313970.7681920480340.1765520633780.734954824144-1.110345310931.970047345350.400618715103-0.1724001694621.234903083-0.2237576772151.48331265469-47.601955114619.752743512951.4747344902
246.993680048952.80850066081-0.2968633735193.86518761269-1.899416922756.32377994888-0.823959122794-0.154412695465-0.4657117532480.3270303968731.04662586255-0.74006202831-0.5377397904360.173537915321-0.4648251181581.925150998440.359765525759-0.2164738627261.53149828488-0.2494584909131.39768103218-37.869961255820.624526541342.0444299819
253.588044140362.63480514193-2.808673260174.93965481015-6.686258902158.9297836008-0.462635707662-0.959741905486-0.00178896067816-0.6445039033770.02429540722290.02460971427160.88789986678-0.07255525453460.4670850609572.251786062420.275059433671-0.07694333887731.1966813608-0.1822487955551.49011679387-47.767652289110.926454289552.1164007602
265.99041908377-0.117090487303-0.6431627292194.3407435762.137145252968.88790906827-0.9701109911460.064716428361-1.18560684991.574177541260.597815895985-1.533654342160.9365682699340.836560847260.3916411035851.811243911380.281063489928-0.3338673669541.32709921609-0.1848150609441.52430940283-35.358739695718.016673751152.1129322631
274.681346219965.03058876239-4.873114054495.24011350684-5.232216057414.680039498420.48856112327-0.1135235017131.448546698722.025027094180.2961005360382.81411792119-0.350329556024-2.03606068378-1.170073761471.373797486710.1806399713860.2128723201791.724405525860.1526036111281.43668664838-50.762900698424.1000543369.47464892862
287.905777659065.44215911415-5.975930718228.11048880193-3.822265788737.783223673610.4428165461110.2269976804510.674892290492-0.506660249296-0.667853816938-0.269006032620.428020114258-0.2856749019680.2041450121031.336778132580.2506648056820.1264620447971.310992799910.04242187464261.28598779553-39.068383116625.39453974956.2345886193
297.203055974795.47293698641-4.329295635078.90252447825-6.632879147745.37968619466-0.2436165652250.382903744173-0.778362549803-2.24271328257-0.08034195072170.2696013613432.017057070980.535787579541.031439981421.76962297113-0.01108948950870.1637725829481.46204109049-0.00399660282271.66058486964-39.825589122514.75409658290.64873752632
306.89280683866.41814252396-3.135575408085.13496192834-2.446889017585.730464669560.02878157923160.3611226615920.162731134880.2296712263840.476978892423-0.359709861671-0.39126162433-0.645024189882-0.4169126447921.436779759520.2748956630330.03705732348381.38509101877-0.002348262017381.49517311878-42.097539497825.54930230666.28117788416
315.772637003553.43970606405-2.318667855074.99799171939-6.082497445018.594173150521.532475261540.7121600111251.256693805490.3979548250891.58460835575-1.090779076761.18194972779-1.57685067219-1.894966391221.483358973190.1835598337860.1271996514071.22723953971-0.1191181188321.85741815759-55.61099349715.167205420222.9311787854
325.384691776181.60020436149-0.114961529226.087103885222.541652831115.59595796423-0.414884092317-1.039668354380.3030794019410.6263369321210.123482149129-0.353637566135-0.228594356929-0.5303563023080.3732497663061.706289878640.561309165154-0.3060564930651.09676152977-0.04111681510681.37014167131-51.19662317925.859492595143.619947123
334.539616717494.363191605562.030846453344.011005037391.503479791969.03313451102-0.2457795936480.1473809537-0.09352346830170.6911014238460.643178133126-1.33335686782-0.3545380353210.251810575726-0.5452930640811.82666551180.2896367479-0.1419267408131.148875351850.02298231361511.45902073426-50.737749797325.99770797136.6211160017
349.090531984682.482080317373.861925761165.021109034022.731458846232.62072635392-0.373579951532-1.552911161550.2589332683090.7745508839410.5592973587030.3214695158260.376888885154-0.0970385076556-0.3322284122732.373346948960.525081635665-0.1217395631961.56947589931-0.1693903258721.62109876157-55.982657599333.870473108249.2615603271
354.115655045752.903378288333.732032661988.510217772955.568099029114.595565867910.778767069031-0.6305661959270.0306072616662-1.350313048921.58772474461-0.142241167666-3.28240584069-0.99633504299-1.370008507822.146934425670.365420779229-0.08805998014291.51029103772-0.1103122612271.66937978517-60.828211553424.788648750241.4493102657
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'E' and (resid 334 through 353 )EA334 - 3531 - 20
22chain 'E' and (resid 354 through 387 )EA354 - 38721 - 54
33chain 'E' and (resid 388 through 403 )EA388 - 40355 - 70
44chain 'E' and (resid 404 through 437 )EA404 - 43771 - 104
55chain 'E' and (resid 438 through 494 )EA438 - 494105 - 161
66chain 'E' and (resid 495 through 506 )EA495 - 506162 - 173
77chain 'E' and (resid 507 through 526 )EA507 - 526174 - 189
88chain 'H' and (resid 1 through 17 )HD1 - 171 - 17
99chain 'H' and (resid 18 through 82 )HD18 - 8218 - 82
1010chain 'H' and (resid 83 through 97 )HD83 - 9783 - 97
1111chain 'H' and (resid 98 through 110 )HD98 - 11098 - 110
1212chain 'H' and (resid 111 through 138 )HD111 - 138111 - 135
1313chain 'H' and (resid 139 through 158 )HD139 - 158136 - 155
1414chain 'H' and (resid 159 through 204 )HD159 - 204156 - 201
1515chain 'H' and (resid 205 through 220 )HD205 - 220202 - 217
1616chain 'L' and (resid 1 through 90 )LE1 - 901 - 90
1717chain 'L' and (resid 91 through 113 )LE91 - 11391 - 113
1818chain 'L' and (resid 114 through 213 )LE114 - 213114 - 213
1919chain 'A' and (resid 1 through 17 )AF1 - 171 - 17
2020chain 'A' and (resid 18 through 98 )AF18 - 9818 - 98
2121chain 'A' and (resid 99 through 120 )AF99 - 12099 - 120
2222chain 'A' and (resid 121 through 133 )AF121 - 133121 - 133
2323chain 'A' and (resid 134 through 157 )AF134 - 157134 - 153
2424chain 'A' and (resid 158 through 191 )AF158 - 191154 - 187
2525chain 'A' and (resid 192 through 207 )AF192 - 207188 - 203
2626chain 'A' and (resid 208 through 229 )AF208 - 229204 - 225
2727chain 'B' and (resid 2 through 23 )BG2 - 231 - 22
2828chain 'B' and (resid 24 through 50 )BG24 - 5023 - 49
2929chain 'B' and (resid 51 through 63 )BG51 - 6350 - 62
3030chain 'B' and (resid 64 through 108 )BG64 - 10863 - 107
3131chain 'B' and (resid 109 through 120 )BG109 - 120108 - 119
3232chain 'B' and (resid 121 through 157 )BG121 - 157120 - 156
3333chain 'B' and (resid 158 through 187 )BG158 - 187157 - 186
3434chain 'B' and (resid 188 through 203 )BG188 - 203187 - 202
3535chain 'B' and (resid 204 through 216 )BG204 - 216203 - 215

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