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- PDB-8euq: Crystal structure of HLA-DRA*01:01/HLA-DRB1*04:01 in complex with... -

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Basic information

Entry
Database: PDB / ID: 8euq
TitleCrystal structure of HLA-DRA*01:01/HLA-DRB1*04:01 in complex with c44H10 Fab
Components
  • HLA class II histocompatibility antigen, DR alpha chain
  • Hemagglutinin HA1 chain,HLA class II histocompatibility antigen DR beta chain
  • c44H10 Fab heavy chain
  • c44H10 Fab light chain
KeywordsIMMUNE SYSTEM / MHC class II / HLA-DR / Antibody
Function / homology
Function and homology information


myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / autolysosome membrane / regulation of T-helper cell differentiation / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / positive regulation of CD4-positive, alpha-beta T cell activation / antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / positive regulation of memory T cell differentiation / transport vesicle membrane ...myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / autolysosome membrane / regulation of T-helper cell differentiation / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / positive regulation of CD4-positive, alpha-beta T cell activation / antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / positive regulation of memory T cell differentiation / transport vesicle membrane / polysaccharide binding / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / Generation of second messenger molecules / immunological synapse / PD-1 signaling / T cell receptor binding / MHC class II antigen presentation / trans-Golgi network membrane / lumenal side of endoplasmic reticulum membrane / clathrin-coated endocytic vesicle membrane / ER to Golgi transport vesicle membrane / cognition / peptide antigen assembly with MHC class II protein complex / MHC class II protein complex / positive regulation of T cell mediated cytotoxicity / peptide antigen binding / antigen processing and presentation of exogenous peptide antigen via MHC class II / endocytic vesicle membrane / Interferon gamma signaling / positive regulation of immune response / Downstream TCR signaling / positive regulation of T cell activation / MHC class II protein complex binding / late endosome membrane / early endosome membrane / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / lysosome / endosome membrane / host cell surface receptor binding / immune response / lysosomal membrane / fusion of virus membrane with host plasma membrane / Golgi membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / cell surface / extracellular exosome / membrane / plasma membrane
Similarity search - Function
MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin ...MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / MHC classes I/II-like antigen recognition protein / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
HLA class II histocompatibility antigen DR beta chain / HLA class II histocompatibility antigen, DR alpha chain / Hemagglutinin
Similarity search - Component
Biological speciesHomo sapiens (human)
Influenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.09 Å
AuthorsKassardjian, A. / Julien, J.-P.
Funding support Canada, 1items
OrganizationGrant numberCountry
Canadian Institutes of Health Research (CIHR)PJT-148811 Canada
CitationJournal: Cell Rep / Year: 2023
Title: Modular adjuvant-free pan-HLA-DR-immunotargeting subunit vaccine against SARS-CoV-2 elicits broad sarbecovirus-neutralizing antibody responses.
Authors: Kassardjian, A. / Sun, E. / Sookhoo, J. / Muthuraman, K. / Boligan, K.F. / Kucharska, I. / Rujas, E. / Jetha, A. / Branch, D.R. / Babiuk, S. / Barber, B. / Julien, J.P.
History
DepositionOct 19, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 19, 2023Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2Oct 25, 2023Group: 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
A: HLA class II histocompatibility antigen, DR alpha chain
D: c44H10 Fab light chain
F: HLA class II histocompatibility antigen, DR alpha chain
H: c44H10 Fab light chain
B: Hemagglutinin HA1 chain,HLA class II histocompatibility antigen DR beta chain
C: c44H10 Fab heavy chain
G: Hemagglutinin HA1 chain,HLA class II histocompatibility antigen DR beta chain
I: c44H10 Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)192,81228
Polymers189,9848
Non-polymers2,82820
Water00
1
A: HLA class II histocompatibility antigen, DR alpha chain
D: c44H10 Fab light chain
B: Hemagglutinin HA1 chain,HLA class II histocompatibility antigen DR beta chain
C: c44H10 Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,59816
Polymers94,9924
Non-polymers1,60612
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
F: HLA class II histocompatibility antigen, DR alpha chain
H: c44H10 Fab light chain
G: Hemagglutinin HA1 chain,HLA class II histocompatibility antigen DR beta chain
I: c44H10 Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,21412
Polymers94,9924
Non-polymers1,2228
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)169.150, 178.720, 182.040
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number23
Space group name H-MI222
Space group name HallI22
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z
#4: -x,-y,z
#5: x+1/2,y+1/2,z+1/2
#6: x+1/2,-y+1/2,-z+1/2
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "C" and (resid 2 through 63 or resid 65...
d_2ens_1(chain "I" and (resid 2 through 16 or (resid 17...
d_1ens_2(chain "D" and (resid 1 through 23 or resid 25...
d_2ens_2(chain "H" and (resid 1 through 23 or resid 25...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1VALVALLEULEUCF2 - 632 - 63
d_12ens_1SERSERPHEPHECF65 - 7465 - 74
d_13ens_1SERSERSERSERCF76 - 12776 - 134
d_14ens_1THRTHRSERSERCF131 - 215138 - 222
d_15ens_1SO4SO4SO4SO4GW301
d_21ens_1VALVALLEULEUIH2 - 632 - 63
d_22ens_1SERSERPHEPHEIH65 - 7465 - 74
d_23ens_1SERSERSERSERIH76 - 12776 - 134
d_24ens_1THRTHRSERSERIH131 - 215138 - 222
d_25ens_1SO4SO4SO4SO4IBA301
d_11ens_2ASPASPCYSCYSDB1 - 231 - 23
d_12ens_2ALAALAILEILEDB25 - 4425 - 44
d_13ens_2ARGARGPROPRODB46 - 5946 - 59
d_14ens_2ARGARGASPASPDB61 - 12261 - 122
d_15ens_2GLNGLNSERSERDB124 - 159124 - 159
d_16ens_2GLUGLUHISHISDB161 - 189161 - 189
d_17ens_2VALVALGLYGLYDB191 - 212191 - 212
d_21ens_2ASPASPCYSCYSHD1 - 231 - 23
d_22ens_2ALAALAILEILEHD25 - 4425 - 44
d_23ens_2ARGARGPROPROHD46 - 5946 - 59
d_24ens_2ARGARGASPASPHD61 - 12261 - 122
d_25ens_2GLNGLNSERSERHD124 - 159124 - 159
d_26ens_2GLUGLUHISHISHD161 - 189161 - 189
d_27ens_2VALVALGLYGLYHD191 - 212191 - 212

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.545553340327, 0.0305381526401, -0.837519536543), (-0.00456377381415, -0.999429336087, -0.0334690026281), (-0.838063675878, -0.0144368764514, 0.545381381945)-74.0752006144, -62.7236511634, -41.6909236842
2given(-0.551661534585, 0.0355281068192, -0.8333110493), (0.0117610645393, -0.998661688475, -0.0503637700374), (-0.83398514892, -0.0375843796985, 0.550505391239)-74.0733518276, -62.7991437207, -41.7204326812

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Components

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Protein , 2 types, 4 molecules AFBG

#1: Protein HLA class II histocompatibility antigen, DR alpha chain / MHC class II antigen DRA


Mass: 21882.576 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRA, HLA-DRA1 / Production host: Homo sapiens (human) / References: UniProt: P01903
#3: Protein Hemagglutinin HA1 chain,HLA class II histocompatibility antigen DR beta chain / MHC class II antigen


Mass: 25935.773 Da / Num. of mol.: 2
Mutation: A3G, C4A in the hemagglutinin peptide that was used
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus, (gene. exp.) Homo sapiens (human)
Gene: HA, HLA-DRB1 / Production host: Homo sapiens (human) / References: UniProt: P04664, UniProt: A0A1V1IGJ9

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Antibody , 2 types, 4 molecules DHCI

#2: Antibody c44H10 Fab light chain


Mass: 23505.068 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: Antibody c44H10 Fab heavy chain


Mass: 23668.643 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Sugars , 2 types, 4 molecules

#5: 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.: 2
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: 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.: 2
Source method: isolated from a genetically manipulated source
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 , 1 types, 16 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: SO4

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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: 3.62 Å3/Da / Density % sol: 66.03 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop
Details: 1.7 M ammonium sulfate, 15% glycerol, 0.085 M HEPES, 1.7% PEG400, with crystal seeds previously grown in 2 M ammonium sulfate, 0.1 M bis-tris pH 5.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 24, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.09→40 Å / Num. obs: 50733 / % possible obs: 99.9 % / Redundancy: 16.1 % / CC1/2: 0.99 / Rmerge(I) obs: 0.159 / Rpim(I) all: 0.041 / Net I/σ(I): 14.8
Reflection shellResolution: 3.09→3.14 Å / Redundancy: 16.1 % / Rmerge(I) obs: 0.878 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 2369 / CC1/2: 0.709 / Rpim(I) all: 0.226 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1DLH, 1AJ7

1dlh

1aj7


Resolution: 3.09→39.51 Å / SU ML: 0.4394 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 28.6677
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2438 1995 3.94 %
Rwork0.2001 48696 -
obs0.2018 50691 99.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 105.25 Å2
Refinement stepCycle: LAST / Resolution: 3.09→39.51 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12889 0 164 0 13053
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003613357
X-RAY DIFFRACTIONf_angle_d0.718518169
X-RAY DIFFRACTIONf_chiral_restr0.04512012
X-RAY DIFFRACTIONf_plane_restr0.00492319
X-RAY DIFFRACTIONf_dihedral_angle_d12.27914785
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2IX-RAY DIFFRACTIONTorsion NCS0.659133962401
ens_2d_2HX-RAY DIFFRACTIONTorsion NCS0.713052018301
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.09-3.170.4111420.37563412X-RAY DIFFRACTION99.83
3.17-3.250.34011550.31583473X-RAY DIFFRACTION99.97
3.25-3.350.34511450.29353404X-RAY DIFFRACTION99.89
3.35-3.460.32161200.26073478X-RAY DIFFRACTION99.92
3.46-3.580.27851400.23343417X-RAY DIFFRACTION99.83
3.58-3.720.29761400.22823478X-RAY DIFFRACTION99.92
3.72-3.890.25171360.22033457X-RAY DIFFRACTION99.86
3.89-4.10.23771380.21863452X-RAY DIFFRACTION99.94
4.1-4.350.25591470.18073488X-RAY DIFFRACTION99.95
4.35-4.690.17771450.15763455X-RAY DIFFRACTION99.94
4.69-5.160.20461300.15663494X-RAY DIFFRACTION99.92
5.16-5.90.22771430.17663525X-RAY DIFFRACTION100
5.91-7.430.22521480.20293517X-RAY DIFFRACTION100
7.43-39.510.22821660.1693646X-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)
10.5164071955820.7858313352870.06900567997481.382988803280.06288119015241.01081274799-0.02096275732170.185200372337-0.0552273884722-0.1708584969-0.0466392131396-0.1101120567110.227259414511-0.199169904765-2.24489445607E-50.583376511090.008025704168580.05941827357050.8665071511970.1447573873550.649759576695-42.287-44.053-89.248
20.532965589105-0.06521648448310.1597547480070.119432694494-0.4808010652470.106912505032-0.014119180780.2492829348680.0166912652637-0.003972912787560.03666591256720.00471573497080.166881087619-0.3060194170652.89570033542E-50.629242366471-0.09058831150980.01759329395770.7671989928040.1107843906340.641385114334-39.855-31.121-94.167
30.135200588766-0.309112917578-0.2728849913260.4423078813660.2511962824340.0512964963962-0.3097561997090.3475129941730.284388459909-0.5002011039830.2412692923630.4385778868070.0216974664597-0.917127009251-0.000296713576180.734394873248-0.059520614757-0.03082454464920.8718837407560.1427354081420.839215827137-43.249-21.582-96.544
40.0630580955567-0.1837759211840.01052227251410.4337340937870.1430747768530.218926681151-0.2408117608750.2284689074490.2430940338490.09379079201070.810945219835-0.52854108892-0.8611922804140.997667118030.009119848905470.790958708292-0.01595596694110.05132001703221.127175648550.07196972550941.0150210533-33.257-17.108-93.833
50.157183626355-0.428251018012-0.253944838890.1638168641460.3605912013280.3831292960810.755092911929-0.041355444491-0.2238152086840.472134122872-0.5370849699740.545110346280.352239150508-0.6188142012330.0003564620681591.25677667708-0.253212816741-0.06041906729981.18739973775-0.004242876542340.990017647254-56.985-31.047-57.646
60.3768427221170.385575161546-0.4797959453441.16140570983-0.06942629372930.8201504291890.334187606009-0.570517483494-0.1078069405130.401901387047-0.284183845331-0.03442388044230.27836610344-0.5460881581450.0001451205914020.753865252179-0.160515920449-0.01311481763880.9301786382980.000950679550080.63286693464-50.965-30.378-64.93
70.110408244422-0.1338595401550.5902346843780.684390787282-0.4249349823170.5154236139520.178054695381-0.3184483358940.09555741994870.289028067612-0.05392080467690.1287027405150.329027705631-0.76226367252-1.70946625037E-50.945678432449-0.05484489816710.07432006405511.0460747143-0.06228978701340.826765507058-46.963-18.317-35.095
84.622715502940.468315939352.658699393942.981158688080.4618227092113.013816861450.0885534790562-0.7488610195190.5918145406380.990927864421-0.206063706044-0.04428952981590.0719346352753-0.00457825465581-1.243249543591.16115110434-0.1226014853690.264480351.32441786609-0.02713367653340.760224108374-45.718-23.206-21.547
90.134266887507-0.3044998583-0.1015135667660.3112276518860.2504874356110.1029448020530.03766350733850.17570958598-0.0360683980132-0.187873178-0.0413213377955-0.269448908948-0.1506108270630.837571837444-3.18957913935E-50.6414323254930.0435299101960.02763236885180.782563644898-0.01672302734090.71011188604821.253-12.937-56.008
100.0389492127395-0.04100038566880.05306864283040.0134142238121-0.05123224297770.09825695124510.1959673083630.7138215988660.294847905883-0.394476979263-0.254859026624-0.7022396369170.6110329114510.7334342655425.75520586117E-51.00106468482-0.01658449565280.1387392144480.7120302002530.06656586830920.95431342780821.154-6.731-68.254
110.3973320890280.2449136466290.1247681751460.140675892050.315394002910.47870915983-0.0989304586858-0.4219183004830.1481356911180.08968839394830.169213632571-0.4101704608050.1313877098030.9086914183672.43151390657E-50.6451759584670.00347404743744-0.09304100827140.92327647112-0.07159097737570.84243725427924.195-14.179-39.924
120.1388413619210.278812186447-0.08089081436830.101399793880.2106115202260.0902792533622-0.2593224974720.1007384495460.159468588745-0.2021819393510.102514790632-0.231281193834-0.1295103124260.0166429142028-0.000508982795870.7933138587010.124818596203-0.007975038936890.583071016877-0.04769960297380.65931670605520.335-36.014-70.893
130.00692864538076-0.1152112004470.01086039538960.376042913431-0.2258942560290.0987544672848-0.07278950212820.1017162661950.1099730253410.2222568088950.137190708253-0.2949446162190.1410130461860.603979178947-0.0001438541817310.5885712640840.171370431650.06680934534660.757660174805-0.1529529737270.78229917512927.022-31.816-59.725
140.06215109176810.00499903042857-0.2512448785170.390040600152-0.347963003140.09837351796690.0567404476549-0.136699010583-0.0458781073517-0.281082696233-0.0895014073812-0.130997403459-0.2677893799990.391148503622-0.0002011493714080.6722705364220.06591392741040.01911143814440.775900433849-0.08757654670680.7532042287422.812-25.377-59.295
150.106430232028-0.0157907049690.0178831469598-0.03305315615110.0390990620131-0.019395897219-0.273059382349-0.0655831735016-0.3600168529420.2863298263450.272525695012-0.5037990341530.3733100521760.239272911492-7.03528106534E-60.8134082392190.09499852631260.06283984948391.039236706-0.2060425223930.90524710661729.527-39.52-65.246
160.6793543604480.249947727013-0.4004377144430.294504110132-0.2027601168940.217884295593-0.2535355024080.215810828781-0.01523952072720.0933105241440.454647175261-0.3603226362920.0194313696870.5228638169330.0006587201427590.855434200070.163206288105-0.04383217730030.7188977401870.03842681505190.96412414616823.196-39.916-58.363
171.440018424380.475613581189-1.199243891121.439119739820.6948128476920.7333032164350.0201460272572-0.2199863404610.01769820628130.203302395234-0.1576719643340.3357190138640.2672153893620.507535193152-0.0004605980520230.7143846132960.0979733637235-0.0008833806899230.574195652025-0.01845736692120.792087897497.855-29.784-31.916
180.6929658704520.281931797346-0.4838643968930.5411647639360.02762818598020.3870009100690.2787612135120.8175354364731.177239768220.122001603694-0.7038003371640.1411474842160.154744335573-0.714053120702-0.3660724501340.8744205127650.1714091866030.02712444462860.935610861332-0.1714922513011.031877153330.01-29.752-32.247
190.3135517449740.0268452410810.2828565268610.153967904562-0.2995578934120.217486192264-0.0152053364793-0.1694620170960.1089673297330.30975356044-0.1455846521430.2754179471530.6254335493180.2087394426.37429374966E-50.9532558683030.1825802422810.07918258091620.775287040255-0.0655140660821.007312832573.671-34.816-28.739
200.4468622502470.273723527264-1.223219184590.942995996166-0.6911738556910.490067993867-0.0855295863802-0.1335671525490.188830826071-0.424540146104-0.0589085250411-0.1168956761470.307782045853-0.2243208352964.35152554034E-50.843999876923-0.1295867524180.05766413868020.665298067635-0.05851356313040.747916641294-26.134-44.571-18.575
210.2268707614980.047328759272-0.3024032545350.03574673098540.2801368722470.00416164558745-0.180289988430.1142493157370.1721016458590.09481287389740.114795616964-0.2515284300270.100934016195-0.408308716562-0.001029967963080.731988964833-0.245279146889-0.03121075916160.8259722037550.2410837441820.861717474822-49.532-55.203-81.908
220.116963845514-0.0276852013189-0.09565904979231.282189775130.3689018549850.123584119462-0.0595941835128-0.378984444433-0.1881957323210.223339001188-0.1820533589360.0757429334990.206391939853-0.1298081733530.0001135043178960.741721045978-0.05969687471980.01228772320551.013900602590.2316184732910.612862962948-43.771-48.164-74.586
230.01961049376660.06897113403160.3554241653450.2198268076710.3917813001141.356532533140.0294390121253-0.469540544083-0.3768613261130.621223895358-0.501225304226-0.3848741097340.262259860002-1.22026281401-0.1291056040310.818439329897-0.03939653960060.01403408146731.019467221010.3312272061060.871283601778-48.048-59.125-70.863
240.0778870135930.0309904219365-0.00452908997988-0.0754938331693-0.116390924638-0.0974917584636-0.0270847988731-0.749933513051-0.1817062488020.192113544260.0843725993541-0.7598894680590.4291293218540.962373020926-0.0002778538015730.7956296346870.0419122966430.07337564498511.197288658760.1802448715821.04766103296-24.876-50.897-85.894
250.1663614622140.2191902368020.06741916813830.1859887393930.1357891062710.0402923165982-0.5042051044910.0408723801458-0.3477202698120.1610628816930.715154704066-0.330663164745-0.0500709382540.226766300198-0.0002981282769990.7446983418650.0438523270773-0.008288967596880.919658699160.01149786891180.962907295208-16.775-25.477-85.764
260.638418515597-0.717342783007-0.4124271779060.4291067602340.235404680350.286056761223-0.128017371691-0.6520867840410.08473580142630.0371017916568-0.15817104039-0.2029028741670.0407241406354-0.376155655754-1.250186214290.6933615501280.104478984483-0.07879806191490.875592936555-0.05616119499040.789780556972-18.241-23.992-82.879
271.77061295513-0.512957245876-0.3473614755850.1405310736320.02754486484710.5485432286050.0521600081487-0.1428123489-0.6065467654520.6712465808-0.107090550485-1.17636499074-0.327406384011-0.267853664706-0.9264773770370.726331901891-0.0263443568283-0.007515460826131.024039736750.04013346325961.02549004548-8.977-27.644-86.166
280.376755136931-0.359369226197-0.07478109905351.087645086160.3969342967610.5531114986810.1401483536720.1704088902250.07349034271080.343972332861-0.0294316514865-0.226889417326-0.0579424762227-0.169301533973-1.38103209079E-50.7665712260410.0239795044656-0.02577683138640.758507230130.008879653188630.66816838744-44.863-10.025-69.611
290.734904756992-0.01363631109320.6819191083790.117944305032-0.04814967852610.7221307032180.00969371503485-0.05011070066880.0056284579302-0.0846689731566-0.40937623739-0.1229741014820.4700670129090.1708158084940.3076503430131.272967076440.207204020361-0.01445401663221.05178386767-0.01576277650081.13694132928-38.446-6.897-39.438
300.326102270263-0.16128746836-0.1344021547270.5241693633790.3136809648440.295393719394-0.14724788242-0.0142193481637-0.06327562117480.3917979095370.1077573225830.3759149247120.4338492504210.424880217701-0.129712710341.25376888173-0.0971040137484-0.05151049807740.864884923749-0.01219427898111.21915535617-35.813-15.537-32.956
310.2803590571270.2910596459590.3490554139670.183884075298-0.3374597567970.2832103962580.0102839843092-0.5634422684750.277110387558-0.0189814801051-0.0451482627036-0.311060676054-0.3569832482730.2647759921868.4274794446E-51.263434090580.01114838385610.07006311989081.029046821640.05803193748621.19209344125-34.322-13.841-40.273
322.75154094464-0.7550224140690.4786224621690.561074611460.06719306064930.6767874797370.231121373479-0.721280186212-0.521574599093-0.1426953337190.514919686661-0.6107296680540.03743092754460.337653303320.1886880986251.78545054485-0.05959565151540.009841704590151.204407782860.1483353064621.37754892768-27.555-9.135-34.906
330.3340356889020.0175759301741-0.2330365708230.3527319194020.004106162118150.611409120276-0.0237606392323-0.405165967202-0.120264157364-0.03175562396060.261291475682-0.123970678945-0.1796050690870.133748532850.1426026694010.5081109141280.109473863032-0.03958824433950.579721680355-0.08127233839670.66181574342615.601-10.677-46.319
340.6532161459050.854869616499-0.8193644233671.91003437672-1.224934830942.09581164421-0.810734857557-0.44826614490.1410655635380.6076341072880.298354982144-0.512042280986-0.109955897302-0.144290754486-1.215357060780.7235004151470.15704312698-0.006447971379060.701959103276-0.05100520469360.6751694132638.075-11.053-39.807
350.613452743243-0.138189097014-0.0390507101960.5330405056140.3959225095070.254100479021-0.125445739716-0.5104300606360.0244133817478-0.2241605113550.0517246908499-0.2453902483060.2461816799250.0203675241025-0.0002932508153480.9639427548340.108041303611-0.06403241220740.833655964893-0.09188076568050.8550863508299.673-1.256-39.375
36-0.0863546151601-0.0515717825405-0.0187713405391-0.09535378784240.192069456080.0399438973543-0.1904976869090.2910212329150.269813885979-1.36703870552-0.02989733576990.766191948369-1.051732256960.00139977184628-0.000262517366970.9509486074520.175940143803-0.04607434145210.6488314898180.02767088619090.8235913258089.275-9.335-67.086
373.32499526266-0.3650587507670.8352849831570.1583942564450.2621337120692.36244979177-0.387099939981.20832906747-0.657721842251-0.02832157393460.962592896066-0.0981556452050.3938018590980.6866871672481.648617006980.8292469600250.09168714833040.06913532485130.998823254584-0.1450699624780.8795605878848.686-38.711-74.733
380.535266193062-0.749667743241-0.4462268558240.7068580838860.009942734448910.465390078789-0.0782693941244-0.150997381078-0.183074463619-0.484104715131-0.1303125461670.0533224745789-0.379341076722-0.5266548740333.86435968848E-50.6403025913480.0350765528056-0.03281019065620.772212176589-0.001584223766720.7396605085392.092-34.319-74.622
390.306071779886-0.108739738664-0.4515055971610.119245967750.1448412772510.2190351800410.04853384034550.193059329339-0.0401773563209-0.253379332294-0.0615875161740.5818961180130.4889579340160.4581648662590.0001132842702821.233845899250.1355788996250.06078931033770.4751570215060.00479537670620.8856345151170.018-54.657-41.865
400.3011809391810.703985798690.1785609415960.9336179656030.4885790535480.122916360281-0.339650513780.5213547378710.05381605819490.1150204336520.2255192771270.08866555989370.239108682607-0.43320881531.98741602494E-50.8068042481480.1246240026590.09552362183590.5658569622160.05096322445640.7357432689768.684-48.041-42.424
410.4239900220390.557687388617-0.04547793205140.4525738730640.07276912442580.086071397892-0.659535940122-0.175432873648-0.4190901237540.0693366239013-0.00303570331781-0.263117657238-0.0748510761806-0.210207169095-0.00129410570571.085643679950.1245442473370.1628972006780.4930050195250.07483354755031.0606686293110.524-56.242-40.248
420.358790357511-0.1771782422060.1636276302030.144441122154-0.1491329608610.05794409570210.01706312239830.6787355225590.0468865403320.644010913852-0.1320325059370.06835230092570.1978376398630.126595957541-0.0001342330637170.730302219820.1529080915810.007577756977550.6787244891250.04248144982330.7578116270869.469-42.175-42.959
430.1832572552210.197195796339-0.2034418726960.164011173753-0.5694602858360.842535412148-0.54144277980.6479696190720.03531674238480.223740826128-0.1748978182530.1460696383140.114586479397-0.637919499402-0.1380318902861.48002233742-0.07513781888740.0698386804970.7484843804110.1257571020860.766403177332-21.741-52.264-30.501
440.0142597080564-0.0492729040236-0.01582402500380.0218220432642-0.103708088230.0564493623742-0.1173410786410.156259251382-0.373259509264-0.8492515257710.02532577551850.1222331195920.268528742077-0.0660826512224-0.000554298065221.15792685125-0.1029255639520.0657087609770.763866770604-0.01257634941420.816614633201-24.669-49.326-30.257
450.4267540308250.2945740016080.001750869888320.2580202361530.1551330443230.148372858758-0.05718460649620.8194659289740.383601874101-0.963618153232-0.533868701244-0.7975625921090.530667393633-0.3879480411430.0007329992088751.18770151148-0.07647879259150.2381541082151.016187696920.04227000821330.9013301251-19.438-45.84-37.331
460.159245326305-0.0825907506362-0.113781287243-0.07675175292680.06226245322340.0815766660982-0.4315786219450.158362085486-0.200482544472-0.2392941618550.216094342221-0.01965705268810.543742158247-0.298412612327-2.14934044357E-51.048147282540.02221993084380.1912038222340.679814738704-0.02396576818880.899920649985-21.97-47.233-28.965
470.0529838898480.000391363835658-0.0930747685791-0.00495836127794-0.0793866500433-0.0789755794984-0.07528470361350.603821729559-0.0173994551103-1.102918693330.232063902274-0.07691805504210.189661848318-0.0785746115464-7.017603800781.39355683893-0.1581728679070.1102711570961.0489401594-0.1966871194311.07924770987-27.291-50.727-39.141
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 3:101 )A3 - 101
2X-RAY DIFFRACTION2( CHAIN A AND RESID 102:154 )A102 - 154
3X-RAY DIFFRACTION3( CHAIN A AND RESID 155:173 )A155 - 173
4X-RAY DIFFRACTION4( CHAIN A AND RESID 174:187 )A174 - 187
5X-RAY DIFFRACTION5( CHAIN D AND RESID 1:20 )D1 - 20
6X-RAY DIFFRACTION6( CHAIN D AND RESID 21:90 )D21 - 90
7X-RAY DIFFRACTION7( CHAIN D AND RESID 91:198 )D91 - 198
8X-RAY DIFFRACTION8( CHAIN D AND RESID 199:212 )D199 - 212
9X-RAY DIFFRACTION9( CHAIN F AND RESID 3:45 )F3 - 45
10X-RAY DIFFRACTION10( CHAIN F AND RESID 46:55 )F46 - 55
11X-RAY DIFFRACTION11( CHAIN F AND RESID 56:87 )F56 - 87
12X-RAY DIFFRACTION12( CHAIN F AND RESID 88:101 )F88 - 101
13X-RAY DIFFRACTION13( CHAIN F AND RESID 102:128 )F102 - 128
14X-RAY DIFFRACTION14( CHAIN F AND RESID 129:154 )F129 - 154
15X-RAY DIFFRACTION15( CHAIN F AND RESID 155:166 )F155 - 166
16X-RAY DIFFRACTION16( CHAIN F AND RESID 167:187 )F167 - 187
17X-RAY DIFFRACTION17( CHAIN H AND RESID 1:75 )H1 - 75
18X-RAY DIFFRACTION18( CHAIN H AND RESID 76:90 )H76 - 90
19X-RAY DIFFRACTION19( CHAIN H AND RESID 91:110 )H91 - 110
20X-RAY DIFFRACTION20( CHAIN H AND RESID 111:213 )H111 - 213
21X-RAY DIFFRACTION21( CHAIN B AND RESID 4:23 )B4 - 23
22X-RAY DIFFRACTION22( CHAIN B AND RESID 32:80 )B32 - 80
23X-RAY DIFFRACTION23( CHAIN B AND RESID 81:106 )B81 - 106
24X-RAY DIFFRACTION24( CHAIN B AND RESID 107:126 )B107 - 126
25X-RAY DIFFRACTION25( CHAIN B AND RESID 127:162 )B127 - 162
26X-RAY DIFFRACTION26( CHAIN B AND RESID 163:198 )B163 - 198
27X-RAY DIFFRACTION27( CHAIN B AND RESID 199:219 )B199 - 219
28X-RAY DIFFRACTION28( CHAIN C AND RESID 1:106 )C1 - 106
29X-RAY DIFFRACTION29( CHAIN C AND RESID 107:130 )C107 - 130
30X-RAY DIFFRACTION30( CHAIN C AND RESID 131:145 )C131 - 145
31X-RAY DIFFRACTION31( CHAIN C AND RESID 146:203 )C146 - 203
32X-RAY DIFFRACTION32( CHAIN C AND RESID 204:215 )C204 - 215
33X-RAY DIFFRACTION33( CHAIN G AND RESID 4:61 )G4 - 61
34X-RAY DIFFRACTION34( CHAIN G AND RESID 62:80 )G62 - 80
35X-RAY DIFFRACTION35( CHAIN G AND RESID 81:106 )G81 - 106
36X-RAY DIFFRACTION36( CHAIN G AND RESID 107:126 )G107 - 126
37X-RAY DIFFRACTION37( CHAIN G AND RESID 127:151 )G127 - 151
38X-RAY DIFFRACTION38( CHAIN G AND RESID 152:219 )G152 - 219
39X-RAY DIFFRACTION39( CHAIN I AND RESID 1:17 )I1 - 17
40X-RAY DIFFRACTION40( CHAIN I AND RESID 18:56 )I18 - 56
41X-RAY DIFFRACTION41( CHAIN I AND RESID 57:87 )I57 - 87
42X-RAY DIFFRACTION42( CHAIN I AND RESID 88:106 )I88 - 106
43X-RAY DIFFRACTION43( CHAIN I AND RESID 107:134 )I107 - 134
44X-RAY DIFFRACTION44( CHAIN I AND RESID 135:145 )I135 - 145
45X-RAY DIFFRACTION45( CHAIN I AND RESID 146:165 )I146 - 165
46X-RAY DIFFRACTION46( CHAIN I AND RESID 166:189 )I166 - 189
47X-RAY DIFFRACTION47( CHAIN I AND RESID 190:215 )I190 - 215

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