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

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Basic information

Entry
Database: PDB / ID: 7pqy
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab
Components
  • 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
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.
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

Downloads & links

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Assembly

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


Theoretical massNumber of molelcules
Total (without water)140,6457
Polymers140,0746
Non-polymers5711
Water0
1
E: Spike protein S1
H: FI-3A Fab heavy chain
L: FI-3A Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,6084
Polymers70,0373
Non-polymers5711
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Spike protein S1
B: FI-3A Fab heavy chain
C: FI-3A Fab light chain


Theoretical massNumber of molelcules
Total (without water)70,0373
Polymers70,0373
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)172.651, 147.159, 100.803
Angle α, β, γ (deg.)90.000, 123.798, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1chain "A"
d_2ens_1(chain "E" and resid 335 through 517)
d_1ens_2chain "B"
d_2ens_2chain "H"
d_1ens_3(chain "C" and (resid 1 through 169 or resid 171 through 213))
d_2ens_3(chain "L" and (resid 1 through 169 or resid 171 through 213))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1LEULEUA1 - 183
d_21ens_1LEULEUB2 - 184
d_11ens_2GLUCYSC1 - 217
d_21ens_2GLUCYSD1 - 217
d_11ens_3ALALYSE1 - 169
d_12ens_3SERGLUE171 - 213
d_21ens_3ALALYSF1 - 169
d_22ens_3SERGLUF171 - 213

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.101696765756, 0.994211779972, 0.0346511817992), (-0.994051352993, -0.100192068064, -0.0427019567506), (-0.038983014864, -0.0387877050433, 0.998486774319)12.6202381228, 8.94258118634, -18.0039882065
2given(-0.101541344847, 0.994354747984, 0.0307894535329), (-0.99409058745, -0.100223026704, -0.0417043026746), (-0.0383830591522, -0.0348422169293, 0.998655476473)12.7308263969, 8.97050683602, -17.9651660701
3given(-0.0971533718164, 0.994696444764, 0.0337669234324), (-0.994558429611, -0.095745892765, -0.0410640244971), (-0.037613194945, -0.037572686782, 0.998585770364)12.7089466113, 9.04201840788, -18.012040592

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Components

#1: Protein Spike protein S1


Mass: 23150.891 Da / Num. of mol.: 2
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
#2: Antibody FI-3A Fab heavy chain


Mass: 23521.436 Da / Num. of mol.: 2
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.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
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: 3.8 Å3/Da / Density % sol: 67.62 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.08 M sodium citrate tribasic and 24% (w/v) PEG 550.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Feb 16, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 3→84 Å / Num. obs: 41694 / % possible obs: 99.4 % / Redundancy: 20.4 % / Biso Wilson estimate: 124.76 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.181 / Rpim(I) all: 0.041 / Net I/σ(I): 7.2
Reflection shellResolution: 3→3.05 Å / Redundancy: 18.3 % / Mean I/σ(I) obs: 0.2 / Num. unique obs: 1857 / CC1/2: 0.688 / % possible all: 87.6

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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: 7NX6

7nx6


Resolution: 3→83.77 Å / SU ML: 0.5333 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 37.5891
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2446 2033 5.48 %
Rwork0.2279 35089 -
obs0.2288 37122 88.52 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 175.26 Å2
Refinement stepCycle: LAST / Resolution: 3→83.77 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9453 0 38 0 9491
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00249712
X-RAY DIFFRACTIONf_angle_d0.555213204
X-RAY DIFFRACTIONf_chiral_restr0.04361470
X-RAY DIFFRACTIONf_plane_restr0.00451702
X-RAY DIFFRACTIONf_dihedral_angle_d11.44233477
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.199296383558
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.274931580914
ens_3d_2CX-RAY DIFFRACTIONTorsion NCS0.189587818446
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3-3.070.7764201.1488224X-RAY DIFFRACTION8.7
3.07-3.150.833470.7068896X-RAY DIFFRACTION34.47
3.15-3.230.56841560.50192467X-RAY DIFFRACTION94.12
3.23-3.330.48711500.46272606X-RAY DIFFRACTION99.32
3.33-3.430.46191550.39282615X-RAY DIFFRACTION98.72
3.43-3.560.32191200.35142640X-RAY DIFFRACTION99.07
3.56-3.70.35971050.32652641X-RAY DIFFRACTION99.06
3.7-3.870.27921780.28762589X-RAY DIFFRACTION98.68
3.87-4.070.27971510.24822588X-RAY DIFFRACTION99.13
4.07-4.330.25111930.21552572X-RAY DIFFRACTION98.57
4.33-4.660.23881680.21072604X-RAY DIFFRACTION99.14
4.66-5.130.20051300.19112655X-RAY DIFFRACTION99.5
5.13-5.870.25161100.20452690X-RAY DIFFRACTION99.93
5.87-7.390.2251820.21752629X-RAY DIFFRACTION99.89
7.4-83.770.16861680.15792673X-RAY DIFFRACTION99.13
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.426371269071.28704421794-1.559886790072.617554707321.390263731722.73892353395-0.318078015778-0.403304158134-1.181289592340.4858232140661.012262611210.7382815791290.055110917108-1.021992145580.2634667543661.540061135-0.503153487954-0.00769556801132.467185262830.0705042907131.301233690826.8516734502829.335975984377.0757469184
23.8357097782-2.635614289050.4149264121883.36741334723-0.8741262955542.568627363171.64821524697-1.72498335514-1.88172964098-0.1468948138040.969677860671.506075035350.239075198484-0.484320806669-1.313998349051.83479770028-0.608260837778-0.157845101083.550097269710.3055914097191.468759642813.2300144632715.226602868679.7298459778
34.227521856550.1263904754752.746247344912.028107055081.852265930625.343302292871.17731256284-1.947278536370.4388380250850.38587364569-0.732455071984-0.282918964684-1.327397513290.08410262520970.5187962360550.912869950882-0.463120581929-0.2117040641832.838261267810.1865347108510.9010906295042.9755473944522.299115656865.0150587652
48.07657057058-4.088517472030.05917132651823.96292111372-0.753232330013.333853594310.255003522191-0.3717761200842.21335723184-0.06811854456730.176637563171-1.46861347808-0.3906063575050.0859390512604-0.04680584215230.945543745925-0.464319736333-0.003178863393952.15645622251-0.1442661852091.552985453544.6081205388831.354899538857.9284392011
56.31376395827-0.43419130731-3.220597530761.43707343017-0.2902202463682.41445564770.605923243752-0.5296341324831.71503516581-0.6765602434351.43983856947-1.76268894491-0.6793218246871.356553383470.165072444131.23823006315-0.3605921093790.2731224498611.171783277550.395557947612.2255317482511.805729787835.902323243643.3331106423
63.02670045299-2.337928851971.856744825932.00923509829-2.602688335117.61103529965-1.551526438120.9077290319633.1914212179-0.996227320049-1.28093363292-1.35887187156-0.4438312702010.146713039624-0.3321164809641.23569604779-0.5570188316120.2817482267551.43444944559-0.09532023323132.011872084185.8170161740638.174697788745.289981845
70.3224560088920.04969828234990.6937507381520.3814119687161.351198839754.7145434190.26181620882-1.57289187980.473106758518-0.173657033324-0.0315016835598-0.451692076491.43882030972-0.969418903303-0.3554430873341.46439148524-0.08635155390950.2756513023452.986586164750.1278044672791.2622029644-0.63834917614825.153804428768.9327007274
80.4432382007060.916377174819-1.324519054782.44102599055-1.160664291137.41406893563-0.207679090693-0.09272449513292.781037253080.468453579917-2.260392346581.39989459315-1.00400113395-0.3188505885631.636430819792.30204582933-0.000771606849228-0.3179249888852.79890727330.0154275764681.02906619443-24.7614023534-14.684989020490.9121580125
91.649224823730.8637651461990.942518731780.4507340607090.7172964622482.951465883330.220763452191.183883268090.07247442597543.397277541250.363257492714-0.4575835039052.227039636641.339381852460.03496274114782.994481073580.217166845247-0.4784136570462.760225087580.2383852812291.34964226206-16.6632543657-13.118546566997.9469384194
101.059481247950.510951916816-0.7612747855852.364957737011.108352453791.55202389024-0.999007559173-1.08141191907-0.5940917469631.53554455329-0.8261449217-1.05419859820.8132583260261.35092952563-0.2808250093962.404504114670.284015288344-1.129083123393.07753646010.3518359655622.54386125776-7.38814160013-9.9315878496496.4151341596
112.111263914212.582437318030.4160388052282.819387917360.9252676488284.419463292490.430835481604-0.657426942553-0.6383192455551.19255312351-0.218362394867-0.5315243738271.22876470436-0.029580498328-0.002245210539641.38072782061-0.123943208078-0.4729942066552.033515407480.5961882320771.5768819811-18.4313784935-15.314666120779.5914941804
121.522919936970.633592108326-0.7462341438011.769491147021.888572677544.60833280380.174268379298-0.608772769262-1.199736897460.4485000561340.212748514059-0.942577689314-1.056546369320.3423278840970.2553351850881.068370855550.187409194422-0.3775150524391.667988223520.4047339413121.48491288919-27.4861787846-7.9886814109965.8079299932
132.88095195053-0.236676738724-0.2363362498983.551304007631.481902679611.552588217820.2067217723520.848570714572-0.1166104946051.119408965750.354865677247-0.628135070151-0.13326995629-0.265994014115-0.9644687147341.660603445960.0744388513189-0.1187812058222.299582415341.192369594792.26093116607-18.6016604231-20.844893146482.7638781794
144.341372843521.23917611636-0.321751643253.578088064242.228336204254.926718661770.2546097427140.07132132656220.162988822587-0.2470303345280.162936151284-0.664234656979-0.2617248032920.31223713457-0.1086520060750.8609894261360.04824740575630.02833545696891.632180731180.226236688451.108805369321.2919322077514.900597524334.2027786427
153.40025056591-1.366620960893.577761160263.76142188045-0.6458005332413.93233738889-0.1540160408461.056226548540.335040777805-0.565721040005-0.0953538876057-0.55035546739-0.1701990982090.821740689024-0.1421210989041.114416831120.2066232187220.1562688905921.818647917060.1784741913270.895887844701-9.886700157915.04785194285.0076298232
163.34745713364-0.001125849322060.4043658952781.411069281480.1921719558884.415448194120.332680425132-0.8568880174490.60126551333-0.027810575974-0.5426689719260.217593252385-0.433835218374-0.06341567340690.4199217534341.015384520280.04078397509110.1039976206991.487061516170.04100688463671.23803139044-17.919208328327.785265257937.5907220233
175.29127807561-4.10945130292.05931134154.0548266139-3.003796257552.64424939521-0.0657065890213-0.607382001274-0.159701395346-0.04917784322280.201248546008-0.157522131974-0.0266680626418-1.83021764261-0.6294934976660.897779184680.1413759227620.1740081089111.659939525640.2774119245120.804202261202-19.663675919722.375632004531.9993731111
182.97991093349-2.391308859592.757863814516.112571699322.329101041245.673674055350.4030183612280.940908097044-0.322497341599-0.2768661068240.0007793244318130.8466954541460.619045050791-0.4873416705280.06800878953711.058446134660.113005290151-0.06915380356041.777478682030.09730188217960.979600772347-24.75740442779.813475747044.24723058699
191.541267497842.11023171471-0.5888787894814.892939511920.1295934189550.60470560426-0.5426886733530.420768455886-0.925482272656-0.9777509153290.738966096351-1.55664668236-0.5785945511160.454709775106-0.8910522014881.143901099520.08460969626460.1945757364381.446998901130.03034710042081.93082850832-4.66981397661-11.701353259144.5263996059
201.78396462251.839199488520.5412760972373.40285012751.10022804681.43459678131-0.004704752498010.2907886303540.0560747432876-0.1930353019570.505121170626-1.54475090762-0.4266566967460.14793114421-0.3737610918970.9550324451280.04617568085740.02719959535491.735452741080.1457329284542.25736659796-8.15382639263-12.08173731255.18157559
212.25093782820.2308156704081.377158934661.857254326190.5873915502041.524309173870.08297153296410.596876604405-1.147521012480.4018991207480.738825848444-1.801167941950.1815320289721.939796634530.1877780027831.07886783730.01959818777250.09512325138451.269529199530.02099679716052.77347842299-1.12348071998-16.946163531850.6062985097
226.77588854438-0.832375338787-7.534858663493.32524224298-0.2469565573799.876520972190.4381452017040.894032472386-0.606212176517-1.13543362473-1.589932330110.589123850799-0.2892927380761.105320468640.4590133841821.044577574930.0303761884608-0.2385778044681.579981444090.09306839247562.20764374173-19.4650953117-18.831550431353.5255918581
231.022275541941.267390266482.430392576732.916889789651.521285205747.32566394693-0.634470180543-0.440868685920.189771711224-0.3902958533560.201861529828-1.20553364605-0.5821417216851.082471561920.5710316004661.05728075020.08699958084930.2751687002381.818528553870.2423522422182.903731886395.81892283251-16.138450079838.0904019546
249.475305494480.144098478982.603193300124.007971890390.7204589975753.752284914920.1582825229040.708915623620.80788541892-0.262651895511-0.3356673861720.949179714365-0.102335940938-0.08898385342840.193228835371.09210209850.341304586636-0.09224762439071.940956700540.4223049242792.35413839888-4.30236126339-26.304877305823.4396508189
252.359029111720.3297122457391.863353176146.474862618143.366441161913.207712643090.05793164268251.887377547471.42335067629-0.8849524261240.03997578397040.544577116305-1.20591099466-0.197336859104-0.4976268190331.612345819970.172200586148-0.378610786221.962349793730.4343495014512.34653066115-5.31222260298-18.498936490518.7752880863
261.41353720214-0.1108830968550.7798232127072.845601018382.147342466034.577942799860.156080663405-0.145503376217-0.7519437434860.444085198562-0.1411007150810.284501596840.2152470455830.252710973835-0.05891616411530.9933478955480.1746404306060.07020627473791.68334334410.3857235644742.2744551893-17.7549688826-34.357338791553.713143102
270.698022458150.7991804239631.888178702272.94562802812.156481898054.355660208570.187204338421-0.532618721602-0.577846810.197321513411-1.005021218880.6578543609940.643538366078-0.895668366938-1.189505533920.9910397693160.153017594546-0.05611534569831.928682730960.3703672466172.15530296328-12.000505422-35.317690001448.2891386416
282.372133578271.36219333410.2154561353853.815563011162.633239053462.925550523420.003243528414280.4190009278330.192490410466-0.274474689050.6451554797240.4814899644480.2396415402351.05620730766-0.07400948214780.9960865044410.337505829027-0.2262630280441.904260265580.2653090987191.691094171092.04412381509-38.177362531620.9437824924
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 364 )EA334 - 3641 - 31
22chain 'E' and (resid 365 through 393 )EA365 - 39332 - 60
33chain 'E' and (resid 394 through 442 )EA394 - 44261 - 109
44chain 'E' and (resid 443 through 469 )EA443 - 469110 - 136
55chain 'E' and (resid 470 through 479 )EA470 - 479137 - 146
66chain 'E' and (resid 480 through 494 )EA480 - 494147 - 161
77chain 'E' and (resid 495 through 526 )EA495 - 526162 - 189
88chain 'A' and (resid 335 through 353 )AE335 - 3531 - 19
99chain 'A' and (resid 354 through 375 )AE354 - 37520 - 41
1010chain 'A' and (resid 376 through 393 )AE376 - 39342 - 59
1111chain 'A' and (resid 394 through 459 )AE394 - 45960 - 125
1212chain 'A' and (resid 460 through 494 )AE460 - 494126 - 160
1313chain 'A' and (resid 495 through 517 )AE495 - 517161 - 183
1414chain 'H' and (resid 1 through 123 )HF1 - 1231 - 123
1515chain 'H' and (resid 124 through 220 )HF124 - 220124 - 217
1616chain 'L' and (resid 1 through 90 )LG1 - 901 - 90
1717chain 'L' and (resid 91 through 113 )LG91 - 11391 - 113
1818chain 'L' and (resid 114 through 213 )LG114 - 213114 - 213
1919chain 'B' and (resid 1 through 17 )BE1 - 171 - 17
2020chain 'B' and (resid 18 through 82 )BE18 - 8218 - 82
2121chain 'B' and (resid 83 through 97 )BE83 - 9783 - 97
2222chain 'B' and (resid 98 through 110 )BE98 - 11098 - 110
2323chain 'B' and (resid 111 through 123 )BE111 - 123111 - 123
2424chain 'B' and (resid 124 through 193 )BE124 - 193124 - 190
2525chain 'B' and (resid 194 through 220 )BE194 - 220191 - 217
2626chain 'C' and (resid 1 through 90 )CF1 - 901 - 90
2727chain 'C' and (resid 91 through 113 )CF91 - 11391 - 113
2828chain 'C' and (resid 114 through 213 )CF114 - 213114 - 213

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