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- PDB-7nx9: Crystal structure of the N501Y mutant receptor binding domain of ... -

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Basic information

Entry
Database: PDB / ID: 7nx9
TitleCrystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
Components
  • (COVOX-222 Fab ...) x 2
  • EY6A Fab heavy chain
  • EY6A Fab light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / SARS-CoV-2 B.1.1.7 variant / B.1.351 variant / P.1 variant / antibody / receptor-binding-domain / spike / neutralisation / VIRAL PROTEIN / IMMUNE SYSTEM / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / membrane fusion / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / receptor ligand activity / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / 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 / 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
DI(HYDROXYETHYL)ETHER / Spike glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.
Funding support United Kingdom, China, 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 China
Citation
Journal: Cell / Year: 2021
Title: Antibody evasion by the P.1 strain of SARS-CoV-2.
Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M.E. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Lopez-Camacho, C. / Slon-Campos, ...Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M.E. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Lopez-Camacho, C. / Slon-Campos, J. / Walter, T.S. / Skelly, D. / Costa Clemens, S.A. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Fernandes da Costa, C. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Dold, C. / Levin, R. / Dong, T. / Pollard, A.J. / Knight, J.C. / Crook, D. / Lambe, T. / Clutterbuck, E. / Bibi, S. / Flaxman, A. / Bittaye, M. / Belij-Rammerstorfer, S. / Gilbert, S.C. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Hulswit, R.J.G. / Bowden, T.A. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
#1: Journal: Biorxiv / Year: 2021
Title: Antibody evasion by the Brazilian P.1 strain of SARS-CoV-2
Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Paesen, G.C. / Lopez-Camacho, C. / ...Authors: Dejnirattisai, W. / Zhou, D. / Supasa, P. / Liu, C. / Mentzer, A.J. / Ginn, H.M. / Zhao, Y. / Duyvesteyn, H.M. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Paesen, G.C. / Lopez-Camacho, C. / Slon-Campos, J. / Walter, T.S. / Skelly, D. / Clemens, S.A.C. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Dold, C. / Levin, R. / Dong, T. / Pollard, A.J. / Knight, J.C. / Crook, D. / Lambe, T. / Clutterbuck, E. / Bibi, S. / Flaxman, A. / Bittaye, M. / Belij-Rammerstorfer, S. / Gilbert, S. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Hulswit, R.J.G. / Bowden, T.A. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
History
DepositionMar 17, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 7, 2021Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2021Group: 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 9, 2021Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.3Jan 31, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_initial_refinement_model
Item: _citation.journal_id_ISSN / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: EY6A Fab heavy chain
L: EY6A Fab light chain
E: Spike protein S1
A: COVOX-222 Fab heavy chain
B: COVOX-222 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)119,25121
Polymers117,6515
Non-polymers1,60016
Water4,594255
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13590 Å2
ΔGint-159 kcal/mol
Surface area44680 Å2
MethodPISA
Unit cell
Length a, b, c (Å)54.302, 120.881, 210.167
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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Antibody , 4 types, 4 molecules HLAB

#1: Antibody EY6A Fab heavy chain


Mass: 24346.273 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 Fab 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)
#4: Antibody COVOX-222 Fab heavy chain


Mass: 23461.182 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 COVOX-222 Fab light chain


Mass: 23327.857 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

#3: Protein Spike protein S1


Mass: 23199.963 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
#8: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 5 types, 270 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#9: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H10O3
#10: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: Cl
#11: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 255 / Source method: isolated from a natural source / Formula: H2O

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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: 3.03 Å3/Da / Density % sol: 59.38 %
Crystal growTemperature: 294 K / Method: vapor diffusion, sitting drop
Details: 0.15 M Lithium sulfate, 0.1 M Citric acid pH 3.5, 18% w/v PEG 6,000.

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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 X 16M / Detector: PIXEL / Date: Feb 23, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 2.4→80 Å / Num. obs: 55190 / % possible obs: 100 % / Redundancy: 26.6 % / Biso Wilson estimate: 52.21 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.257 / Rpim(I) all: 0.051 / Net I/σ(I): 7.7
Reflection shellResolution: 2.4→2.44 Å / Mean I/σ(I) obs: 0.6 / Num. unique obs: 2687 / CC1/2: 0.584

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Processing

Software
NameVersionClassification
GDA1.19_4092data collection
PHENIX1.19_4092refinement
xia2data reduction
xia2data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7NX6

7nx6


Resolution: 2.4→79.31 Å / SU ML: 0.3337 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.2006
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2285 2727 4.95 %
Rwork0.1995 52317 -
obs0.201 55044 99.84 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 71.93 Å2
Refinement stepCycle: LAST / Resolution: 2.4→79.31 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8008 0 90 255 8353
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00198282
X-RAY DIFFRACTIONf_angle_d0.513311268
X-RAY DIFFRACTIONf_chiral_restr0.04141245
X-RAY DIFFRACTIONf_plane_restr0.00481438
X-RAY DIFFRACTIONf_dihedral_angle_d11.18842933
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.440.36111260.31332707X-RAY DIFFRACTION98.37
2.44-2.490.28411370.28942716X-RAY DIFFRACTION99.83
2.49-2.540.31631340.27322698X-RAY DIFFRACTION99.72
2.54-2.60.27741430.26542738X-RAY DIFFRACTION99.83
2.6-2.660.30731500.26852692X-RAY DIFFRACTION99.96
2.66-2.720.31771250.25522744X-RAY DIFFRACTION99.97
2.72-2.80.3221680.25642670X-RAY DIFFRACTION99.96
2.8-2.880.31841360.24162754X-RAY DIFFRACTION99.83
2.88-2.970.27851460.24152694X-RAY DIFFRACTION99.93
2.97-3.080.3061160.22462768X-RAY DIFFRACTION99.86
3.08-3.20.29391260.22632776X-RAY DIFFRACTION100
3.2-3.350.25191530.21972705X-RAY DIFFRACTION99.93
3.35-3.530.23151580.20452737X-RAY DIFFRACTION99.97
3.53-3.750.2361450.19492756X-RAY DIFFRACTION99.97
3.75-4.040.20971590.17512756X-RAY DIFFRACTION100
4.04-4.440.18831620.14862770X-RAY DIFFRACTION100
4.44-5.080.15251310.13852818X-RAY DIFFRACTION100
5.08-6.410.19551640.17182819X-RAY DIFFRACTION100
6.41-79.310.19661480.20472999X-RAY DIFFRACTION99.84
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)
13.79022382616-0.227143690957-0.2088845069475.34505827046-1.541954874652.30986280340.1638182663540.3649691427880.366348550812-0.153577188513-0.0347166556737-0.368686449069-0.489428945990.296359827926-0.0865260252770.539707528797-0.09327272631660.06611249679840.459956270868-0.002174969998920.44650255553431.4769305853-16.9744545469-13.9686739574
27.961584715930.583543249644-2.329431129040.430639700522-0.09204276350012.94435487902-0.327204044643-0.891470305165-0.151235380219-0.6652911661160.403021503496-1.21707657337-0.3712860393520.484863980867-0.1019692736621.316897587-0.1014730666050.465233906820.724325360444-0.00370700237561.3982090949221.71664788711.238251252-1.8242101573
35.60845190204-2.6492105799-2.602607738233.684553552281.500911195653.717771787220.2408140092030.006400673004070.205148828153-0.0860001937231-0.04592040586590.107760242074-0.335897140032-0.329571505925-0.2026786073430.4745370785240.0226532055425-0.002504972469740.3727157689810.002744189855870.40905029535810.9070729649-22.7943878477-8.63507434724
40.7463352922130.475279827796-0.4827958245912.52320187202-0.08920373612310.3094215383910.6061221173520.6595901492221.03740522396-0.289781122696-0.6605163264880.557743654746-0.570875757627-0.01840644927250.04228241455971.013806887220.2180236806170.1951578704660.5661177640360.01274253089821.160919353441.35526132182-2.6340623041-2.07047478624
55.738644430620.9888246439790.06327084901640.9604109071331.101462887751.4866840185-0.8318773054490.08033792739231.80421668899-1.59342896681.131831774380.668287883116-1.040828253950.084722640866-0.5320466023371.81415898568-0.129223027450.4709849175450.8986862259170.1328075670511.668107164314.046797104618.4153655229-6.10284911795
64.891299099632.37659027648-1.114877903088.06789426465-1.293531792622.02583121668-0.4685354146650.5709514311731.31104378272-1.697121299520.8930567297620.613369699428-0.906517196023-0.0361320525436-0.6261535706771.79174931335-0.1162938910970.08990738264370.7415288317150.121778990541.32637016315.1621896223914.8500291014-8.89254906953
73.133712761470.1884429965462.821810550972.73023988657-0.43444027537.955316587850.2325734667030.143836805543-0.2955789060340.190685598435-0.0402684261585-0.7358786227060.8066791552891.10477499343-0.1467241778520.4416572327260.112511349265-0.08096888645880.512628963771-0.0196293681780.52951494722633.7551731479-48.7567117571-28.0645535225
85.97414833615-1.065581668762.66109666926.47051516068-2.433306769172.56550581703-0.521724671494-0.332264035099-0.2584167436-0.3183047354130.816929138463-0.360439907375-0.5262551348630.859598274657-0.2594305471560.6720209567690.0181526933587-0.0245788111180.779863450329-0.0716487643520.90109689241837.023128128-36.082908502-24.2536076052
91.89273580411-0.03603303822290.2161476904824.5783868185-3.080513286697.66503409501-0.1934893155-0.4721610941050.3618861843860.565004681674-0.463554143349-0.15609247158-0.3841184118740.4419992001030.5151647497760.579130230960.0223219160355-0.104421192680.598127808697-0.1062441104460.52412371930428.3244086904-38.4017348464-16.8622989911
103.70363882385-0.1106124840851.242350259783.33371557766-0.5275478344985.08516640740.05734520261550.2174414006550.1746098888670.0409175761299-0.123315851497-0.203479108915-0.1506223494740.3598790132990.09263734500720.2535996679690.010226660518-0.05221060352820.3159625219140.02068245294030.40453881546922.8226336054-41.5407126369-36.4766644452
112.88481413625-1.177023784431.778586799130.8962267706880.1874451537616.194988938510.3617958922670.245721580712-0.2387203571980.0146305736178-0.07352243165980.1589513157260.935247825712-0.116346127853-0.2784057397510.429842078671-0.0151523069964-0.04877756149740.337489527317-0.01020550260420.51601341229712.0385274876-52.2029709876-46.1067601808
123.75991837722-1.73521086363.950290766572.86727767153-0.8033852324045.727263213-0.139261534360.1328762181090.4333253748350.110679970795-0.309061189828-0.3761834831960.007899826375960.3463651915390.3594963947940.295391100948-0.0635674294372-0.02176599962690.349148345116-0.03898745744980.39994423977628.3093428164-41.6288061477-31.0832886716
135.8484183933-3.53549086823-1.139690294473.829005244540.1860841573563.86197213381-0.375392108241-0.0263091204725-0.5728758023850.139047707570.1055627512191.379817045510.289877674434-0.8394330085170.2467328735790.312450695431-0.1016910771280.007686230420390.5671304064170.1359517599930.482343746151-9.95308528028-30.9731750084-49.5427275602
143.30153382786-3.845610177940.1742238282386.66013257508-0.09313781533250.435595333758-0.140435742852-0.0816273005651-0.126894436885-0.1058973939150.01809843942020.565888078727-0.0270256893858-0.1376418109420.02612997555980.2547466963060.0268365816616-0.00641974862450.4229586688640.03285259157910.46507122109-1.94646875582-36.8370591364-48.3330311806
153.38876794899-1.560040350651.67012931471.30349763847-0.7948862744772.30563250861-0.1279382395120.06040669069840.01372329967650.3314403467450.3803683753110.0173967045847-0.147364737818-0.036577591576-0.2565842197970.3083392791170.0426985262622-0.02756743127050.5425933515780.02439222508740.4928752183724.28355332484-31.0500686886-44.6624220362
161.14184650776-0.4659546029740.4860994838595.763096654540.4623758882341.920313161340.0760262152126-0.311027407837-0.332042662420.1488942391660.06165318587680.2027004719580.0158185919107-0.318753518622-0.1286048264710.3130959846240.0235764937175-0.02544312086680.5095500629370.03139571822430.482775965684-3.56262713642-34.1002687699-41.2881161587
173.26515853978-2.2737316327-1.519225944881.899745095550.7714343707542.035355214030.150932343661-0.0519974062934-0.1683127777680.1267859146250.08911250666930.04229091256580.04491837329940.0600960846161-0.1796584357470.227050616685-0.0227157334111-0.01273726539140.4783972622580.06051627103870.481753976899-3.46956176411-25.6746415416-47.5907628375
183.07652020102-1.213011001942.445955104882.94725019166-1.197439241822.684849078010.2073704072090.393385710018-0.0375011169692-0.0575431905793-0.1985268655160.137098681153-0.0176419216561-0.0456606475157-0.04876657999350.321982276293-0.0200634305360.03264852236060.4286605368490.07307008628050.350812063336-3.32215055473-29.1419740474-52.357534974
195.20244317697-0.6964015432480.9302121721483.45078275120.1030860507887.3703350741-0.1752099273950.218603658347-0.483615828846-0.241028982984-0.3382220786860.1650143764820.4728524436470.2713283097970.4743029187590.3776993885081.14894029325E-7-0.02404076279360.3511673534540.06580987231520.558560838371-22.3809687186-18.0663181258-72.4487891754
203.123600495591.619911320042.480695111283.487445376512.621320875847.13084733250.156930704127-0.505903404393-0.211907463163-0.218279596875-0.137947130597-0.3228268462430.462635517752-0.551208962791-0.09703747932830.3702659794030.0258861425912-0.03271369954130.5031722814990.09829636607550.718142413175-17.0146274643-25.4297103394-64.6822739474
212.91037234969-0.986991277807-0.8639795699644.207620646191.095022060093.25253768018-0.1170918218520.2119370138540.0215968910739-0.411199003895-0.1372665855990.5020967144360.03892028977220.2949724507190.3476437663080.3056872328210.0217802702883-0.0548120130010.4099246813760.05039479694110.49504099222-15.9897845097-19.6896206578-71.7328919329
222.567588448110.8381566081-0.5033503183485.624748821245.072624521137.961535537840.141151150001-0.325012654487-0.552602884610.08967702108690.285477307019-0.1195612464990.9741385869030.211817073225-0.425807542090.5219543562040.0797788529983-0.05243395899220.3896460682540.09004608401730.736982586502-22.3182427256-27.9489018597-69.6253753724
234.39679243971-1.031437672890.5322012175157.75941937396-4.027827402722.525815462791.169866120720.527725798084-1.06793033126-0.2281303819570.380352370481.07359784170.520798961046-0.187726649554-1.502879015830.393961493958-0.0837454498422-0.1816876615550.5654352084190.1777636217660.836242566491-27.0375348873-25.7660297351-70.0271852424
246.554760131830.56206523825.996491415394.20492533325-1.096513204938.547881698440.2164991553460.7454146739130.828010241884-0.084910064255-0.0796112541953-0.367690251576-0.4988467933720.588017496208-0.2791820045110.3927033719210.01214015995960.1356851514770.7631092146920.04538083608460.70594783427215.8701650179-21.1922508528-66.055001651
255.71094183371-1.26132298961-0.1223972542722.95046865715-1.687790170564.657888077020.02323272587840.401608661735-0.413898752055-0.172261652839-0.245004439819-0.0748211600520.001453659502630.5034911867330.2023088968250.3213711708810.06734562352920.01635972467050.3966535206820.002562496647220.41958992233214.3481707017-31.7573467989-62.3280245993
263.88544582582-0.2852059042431.29657187183.55335054191-2.970957061092.794443262750.3843806083110.695494033453-0.046707844941-0.213306930569-0.07910519202110.1468695171250.003056470760620.12778667414-0.4396604225910.3774902574870.109280482825-0.01323330783780.4412204343440.03156063982270.52924816614810.5227802631-27.7854544243-61.3195688656
271.53512123941-1.638079107020.96224345612.35334204821-0.7885099299071.990954724180.07739200582620.239860063848-0.0684244003206-0.233466182222-0.05245247212040.2598510628520.059670147993-0.048649211998-0.001998349367420.3748465871280.0171836528222-0.03820668812730.3036014660850.09115651123050.435859913672-11.8115797228-14.7459817528-74.6513018798
282.48375152045-2.73516166183-2.598066102213.890610092961.814277209243.99434003642-0.0171250374281-1.04426755536-0.381856103352-0.0251244637804-0.0389922392621-0.3131468642310.1806799892250.5903003636950.111132587630.3065118161960.0681646161858-0.04346473503570.5290064543650.08732125503850.341551429974-10.4470962383-11.5678601139-76.2239568697
292.46788050871-3.3349914873-0.01172472089135.515654789671.46315377033.0499048636-0.03396527746730.01090550261550.276427771889-0.1098563371560.0612661161118-0.623176045940.01324251116630.435459611245-0.001964813262740.318170379858-0.01469378409390.04195647557210.4484066712310.05584101187080.451623576269-10.6529792394-8.37320785996-74.5594441539
306.29763813579-2.23032301055-0.4620073470894.58800569498-1.944932088795.915967883850.1679805501710.2522169282760.538058472543-0.1941617121710.01835361485850.308736344208-0.16277276419-0.254965363634-0.2271520785160.349409554494-0.0150434733235-0.06791762986220.3449652476690.05045376379270.464954774236-20.5045762735-4.0512637677-78.4787922618
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 127 )HA1 - 1271 - 127
22chain 'H' and (resid 128 through 221 )HA128 - 221128 - 215
33chain 'L' and (resid 1 through 102 )LB1 - 1021 - 102
44chain 'L' and (resid 103 through 116 )LB103 - 116103 - 116
55chain 'L' and (resid 117 through 140 )LB117 - 140117 - 140
66chain 'L' and (resid 141 through 214 )LB141 - 214141 - 214
77chain 'E' and (resid 334 through 364 )EC334 - 3641 - 31
88chain 'E' and (resid 365 through 375 )EC365 - 37532 - 42
99chain 'E' and (resid 376 through 393 )EC376 - 39343 - 60
1010chain 'E' and (resid 394 through 459 )EC394 - 45961 - 126
1111chain 'E' and (resid 460 through 494 )EC460 - 494127 - 161
1212chain 'E' and (resid 495 through 527 )EC495 - 527162 - 194
1313chain 'A' and (resid 1 through 17 )AG1 - 171 - 17
1414chain 'A' and (resid 18 through 40 )AG18 - 4018 - 40
1515chain 'A' and (resid 41 through 59 )AG41 - 5941 - 59
1616chain 'A' and (resid 60 through 82 )AG60 - 8260 - 82
1717chain 'A' and (resid 83 through 97 )AG83 - 9783 - 97
1818chain 'A' and (resid 98 through 125 )AG98 - 12598 - 125
1919chain 'A' and (resid 126 through 151 )AG126 - 151126 - 145
2020chain 'A' and (resid 152 through 163 )AG152 - 163146 - 157
2121chain 'A' and (resid 164 through 195 )AG164 - 195158 - 189
2222chain 'A' and (resid 196 through 209 )AG196 - 209190 - 203
2323chain 'A' and (resid 210 through 220 )AG210 - 220204 - 214
2424chain 'B' and (resid 2 through 25 )BJ2 - 251 - 24
2525chain 'B' and (resid 26 through 76 )BJ26 - 7625 - 75
2626chain 'B' and (resid 77 through 98 )BJ77 - 9876 - 97
2727chain 'B' and (resid 99 through 128 )BJ99 - 12898 - 127
2828chain 'B' and (resid 129 through 143 )BJ129 - 143128 - 142
2929chain 'B' and (resid 144 through 174 )BJ144 - 174143 - 173
3030chain 'B' and (resid 175 through 213 )BJ175 - 213174 - 212

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