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- PDB-7umg: Crystal structure of human CD8aa-MR1-Ac-6-FP complex -

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Basic information

Entry
Database: PDB / ID: 7umg
TitleCrystal structure of human CD8aa-MR1-Ac-6-FP complex
Components
  • Beta-2-microglobulin
  • Major histocompatibility complex class I-related gene protein
  • T-cell surface glycoprotein CD8 alpha chain
KeywordsIMMUNE SYSTEM / CD8 coreceptor / MR1 / metabolite presentation
Function / homology
Function and homology information


cytotoxic T cell differentiation / MHC class I protein complex binding / response to methamphetamine hydrochloride / positive regulation of T cell mediated cytotoxicity directed against tumor cell target / T cell mediated immunity / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / T cell receptor complex / antigen processing and presentation / antigen processing and presentation of peptide antigen via MHC class I ...cytotoxic T cell differentiation / MHC class I protein complex binding / response to methamphetamine hydrochloride / positive regulation of T cell mediated cytotoxicity directed against tumor cell target / T cell mediated immunity / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / T cell receptor complex / antigen processing and presentation / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / MHC class I protein binding / plasma membrane raft / T cell receptor binding / coreceptor activity / T cell activation / : / : / cell surface receptor protein tyrosine kinase signaling pathway / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / negative regulation of receptor binding / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / MHC class II protein complex / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / response to molecule of bacterial origin / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / antigen processing and presentation of exogenous peptide antigen via MHC class II / MHC class I protein complex / positive regulation of immune response / peptide antigen binding / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / positive regulation of receptor-mediated endocytosis / multicellular organismal-level iron ion homeostasis / positive regulation of T cell activation / cellular response to nicotine / specific granule lumen / recycling endosome membrane / phagocytic vesicle membrane / positive regulation of cellular senescence / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / Interferon gamma signaling / MHC class II protein complex binding / positive regulation of protein binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / tertiary granule lumen / DAP12 signaling / T cell receptor signaling pathway / negative regulation of neuron projection development / iron ion transport / T cell differentiation in thymus / ER-Phagosome pathway / protein refolding / early endosome membrane / defense response to Gram-negative bacterium / protein homotetramerization / adaptive immune response / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / receptor complex / cell surface receptor signaling pathway / defense response to Gram-positive bacterium / immune response / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / external side of plasma membrane / lysosomal membrane / innate immune response / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / protein kinase binding / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome
Similarity search - Function
CD8 alpha subunit / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Immunoglobulin V-Type / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily ...CD8 alpha subunit / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Immunoglobulin V-Type / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / Immunoglobulin V-set domain / MHC classes I/II-like antigen recognition protein / Immunoglobulin V-set domain / : / Immunoglobulin subtype / Immunoglobulin / 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 / Immunoglobulins / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Chem-30W / PHOSPHATE ION / T-cell surface glycoprotein CD8 alpha chain / Beta-2-microglobulin / Major histocompatibility complex class I-related gene protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsAwad, W. / Rossjohn, J.
Funding support Australia, 1items
OrganizationGrant numberCountry
Australian Research Council (ARC)DE220101491 Australia
CitationJournal: J.Exp.Med. / Year: 2022
Title: CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells.
Authors: Souter, M.N.T. / Awad, W. / Li, S. / Pediongco, T.J. / Meehan, B.S. / Meehan, L.J. / Tian, Z. / Zhao, Z. / Wang, H. / Nelson, A. / Le Nours, J. / Khandokar, Y. / Praveena, T. / Wubben, J. / ...Authors: Souter, M.N.T. / Awad, W. / Li, S. / Pediongco, T.J. / Meehan, B.S. / Meehan, L.J. / Tian, Z. / Zhao, Z. / Wang, H. / Nelson, A. / Le Nours, J. / Khandokar, Y. / Praveena, T. / Wubben, J. / Lin, J. / Sullivan, L.C. / Lovrecz, G.O. / Mak, J.Y.W. / Liu, L. / Kostenko, L. / Kedzierska, K. / Corbett, A.J. / Fairlie, D.P. / Brooks, A.G. / Gherardin, N.A. / Uldrich, A.P. / Chen, Z. / Rossjohn, J. / Godfrey, D.I. / McCluskey, J. / Pellicci, D.G. / Eckle, S.B.G.
History
DepositionApr 6, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 3, 2022Provider: repository / Type: Initial release
Revision 1.1Sep 7, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Sep 14, 2022Group: Database references / Category: citation_author / Item: _citation_author.identifier_ORCID
Revision 1.3Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Major histocompatibility complex class I-related gene protein
B: Beta-2-microglobulin
C: T-cell surface glycoprotein CD8 alpha chain
D: T-cell surface glycoprotein CD8 alpha chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7957
Polymers72,4324
Non-polymers3643
Water2,324129
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: surface plasmon resonance
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7260 Å2
ΔGint-49 kcal/mol
Surface area27140 Å2
MethodPISA
Unit cell
Length a, b, c (Å)166.495, 166.495, 166.495
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number197
Space group name H-MI23
Space group name HallI223
Symmetry operation#1: x,y,z
#2: z,x,y
#3: y,z,x
#4: -y,-z,x
#5: z,-x,-y
#6: -y,z,-x
#7: -z,-x,y
#8: -z,x,-y
#9: y,-z,-x
#10: x,-y,-z
#11: -x,y,-z
#12: -x,-y,z
#13: x+1/2,y+1/2,z+1/2
#14: z+1/2,x+1/2,y+1/2
#15: y+1/2,z+1/2,x+1/2
#16: -y+1/2,-z+1/2,x+1/2
#17: z+1/2,-x+1/2,-y+1/2
#18: -y+1/2,z+1/2,-x+1/2
#19: -z+1/2,-x+1/2,y+1/2
#20: -z+1/2,x+1/2,-y+1/2
#21: y+1/2,-z+1/2,-x+1/2
#22: x+1/2,-y+1/2,-z+1/2
#23: -x+1/2,y+1/2,-z+1/2
#24: -x+1/2,-y+1/2,z+1/2
Components on special symmetry positions
IDModelComponents
11A-471-

HOH

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Components

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Protein , 3 types, 4 molecules ABCD

#1: Protein Major histocompatibility complex class I-related gene protein / MHC class I-related gene protein / Class I histocompatibility antigen-like protein


Mass: 31711.670 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MR1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q95460
#2: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 1 / Fragment: UNP residues 21-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli (E. coli) / References: UniProt: P61769
#3: Protein T-cell surface glycoprotein CD8 alpha chain / T-lymphocyte differentiation antigen T8/Leu-2


Mass: 14420.284 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CD8A, MAL / Production host: Escherichia coli (E. coli) / References: UniProt: P01732

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Non-polymers , 4 types, 132 molecules

#4: Chemical ChemComp-30W / N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide / Acetyl 6-formylpterin


Mass: 233.184 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C9H7N5O3 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4
#6: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 129 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.65 Å3/Da / Density % sol: 53.67 %
Crystal growTemperature: 298 K / Method: vapor diffusion / Details: Na K Phosphate, PEG 1K and NaCl / PH range: 6.0 - 6.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.954 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 21, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.954 Å / Relative weight: 1
ReflectionResolution: 2.4→48.07 Å / Num. obs: 144365 / % possible obs: 99.82 % / Redundancy: 4.8 % / Biso Wilson estimate: 58.21 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.05795 / Net I/σ(I): 17.41
Reflection shellResolution: 2.4→2.49 Å / Num. unique obs: 14865 / CC1/2: 0.683

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6PUC

6puc


Resolution: 2.4→39.24 Å / SU ML: 0.3681 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.9528
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2183 3792 6.56 %
Rwork0.185 53975 -
obs0.1873 57767 98.51 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 67.24 Å2
Refinement stepCycle: LAST / Resolution: 2.4→39.24 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4702 0 22 129 4853
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00324969
X-RAY DIFFRACTIONf_angle_d0.66046787
X-RAY DIFFRACTIONf_chiral_restr0.0418718
X-RAY DIFFRACTIONf_plane_restr0.0048893
X-RAY DIFFRACTIONf_dihedral_angle_d14.88391783
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.430.40211300.33331927X-RAY DIFFRACTION91.79
2.43-2.460.38151450.29852028X-RAY DIFFRACTION98.86
2.46-2.490.32311380.30371970X-RAY DIFFRACTION98.23
2.49-2.530.28091390.29472020X-RAY DIFFRACTION97.69
2.53-2.570.35331420.27911951X-RAY DIFFRACTION97.48
2.57-2.610.30451400.27262011X-RAY DIFFRACTION97.55
2.61-2.650.2911320.27591939X-RAY DIFFRACTION98.48
2.65-2.690.32011460.26631938X-RAY DIFFRACTION98.39
2.69-2.740.29791400.27572039X-RAY DIFFRACTION97.93
2.74-2.80.33231400.26921988X-RAY DIFFRACTION97.84
2.8-2.850.31641370.25011993X-RAY DIFFRACTION99.49
2.85-2.920.25251450.24042051X-RAY DIFFRACTION99.73
2.92-2.980.26491390.23671999X-RAY DIFFRACTION100
2.98-3.060.26941560.21162059X-RAY DIFFRACTION100
3.06-3.140.2871340.20612008X-RAY DIFFRACTION99.91
3.14-3.230.24641390.22182026X-RAY DIFFRACTION99.95
3.23-3.340.21611450.2042003X-RAY DIFFRACTION99.63
3.34-3.460.26251470.19532025X-RAY DIFFRACTION98.95
3.46-3.590.24591410.17041996X-RAY DIFFRACTION98.62
3.6-3.760.20391360.16811974X-RAY DIFFRACTION98.32
3.76-3.960.21781380.15831976X-RAY DIFFRACTION97.92
3.96-4.20.17281420.14422004X-RAY DIFFRACTION98.94
4.2-4.520.16611360.13372009X-RAY DIFFRACTION100
4.53-4.980.15191330.13452042X-RAY DIFFRACTION99.72
4.99-5.70.17291420.15262009X-RAY DIFFRACTION99.54
5.7-7.150.18891390.18551990X-RAY DIFFRACTION98.43
7.18-39.240.17711510.16342000X-RAY DIFFRACTION98.44
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)
11.027748359920.100127697259-0.2019402343040.139650932394-0.3252951642460.634309820787-0.1950681876410.04605924445670.01864424987550.0167580977370.2580662738650.2809139801650.2277156985840.16496054962-0.0001013655249790.397494407511-0.000666857843376-0.07247908424810.422466758032-0.02003916077820.43157108959917.7154.435-45.974
21.7799395283-0.7702303709230.8943295195570.477707926884-0.4796901426850.570406426921-0.0126439754950.1399082441880.0913846567556-0.2089873705060.05881580722820.0304156979378-0.2223336377790.214050077087-6.78913653224E-50.479665474565-0.03329401136980.0008048289221370.396461134585-0.03079751062870.38214692407823.93760.553-52.732
31.125622200760.5212796506360.007940351706172.52310480465-0.09645993502461.615384626650.0940838412913-0.0108265959038-0.1756830487230.227576421553-0.0174428738489-0.1309480480530.1378457178440.06910337593851.2051426798E-60.3664638262060.0136269355082-0.1071610386490.393209823919-0.03060722671310.40358361191422.9647.669-41.031
40.295755048532-0.289594162010.2334258955020.297196539126-0.01518506931021.111550861420.18184110057-0.00810224150696-0.4075225301310.612100152332-0.0271007960064-0.1640677091720.08598317727050.5099421576811.62577344373E-50.553962003270.0483572731792-0.1519908123930.546054740818-0.01060847915420.63099812658730.00144.416-33.639
50.9489514744190.991987240568-0.5931522942661.0757484626-0.07784113559561.44687076410.2097335780270.05425253330230.595500370549-0.214007868706-0.414294643294-0.30431205022-0.1712689790870.163913632526-0.00058023299450.361219344689-0.0932487368102-0.07810655783940.448359616111-0.04593525431580.51251401142225.5571.399-42.793
60.351904137905-0.196132764001-0.6015311596550.2620145898910.6148828141081.0240131354-0.477983628070.3497472066020.132124706793-0.1070675038760.2269570925320.08934097504730.397501714062-0.25964016139-6.18069403968E-50.377894532863-0.01812751599620.002301031460910.467401268138-0.01081377102790.553028678084-10.10474.396-38.905
70.4080012156020.5903841190440.01225186080.6632141584410.1608720935930.09627183059310.108662412287-0.283685456093-0.639896043740.218022313355-0.43703931529-0.09623951548550.09303979076430.0242673230407-0.000180608952290.518032462060.00956560542225-0.03713599027180.484838690826-0.006201202465890.5122036573454.24374.146-34.306
80.9072794084830.1590975923460.8927576550.2776596790540.3037837157010.8772257434380.0471989207685-0.0917166068324-0.05066955134030.0209797085456-0.04022536250970.09126449364090.2305226898380.168662520328-0.0001188284803290.4046304332510.03736528027980.01266997858290.333891067001-0.00611816025550.5721000233160.60269.881-36.226
90.303681637806-0.0437219799940.2683783013840.05129085554420.009063825836140.242806813434-0.0438841442209-0.0554635124001-0.0165572934160.228199054309-0.2072567768440.0882801017049-0.23133963074-0.738378801667-7.08509530943E-50.497776861254-0.01749443108580.1127849265080.582710033306-0.04035987819840.528064735093-12.39972.631-29.666
100.219900176008-0.3940264380360.2724127146870.419257256553-0.3605717553780.605311254506-0.190881167956-0.05402718916220.204958247310.291852231150.17794743084-0.2387670534230.02965744991620.0271911544072.84828222915E-50.479337879179-0.0210177868108-0.04229858392980.530168550407-0.07583220903910.5983645404086.33176.153-32.956
111.887632108640.6013151059420.7219519921810.490080953424-0.3847367973060.252008615495-0.0239900471422-0.04143961356290.07260028465290.3982978163820.1744853529540.344815036322-0.192686524724-0.06067041476590.002971336160430.378743783469-0.0202446648163-0.0190077686270.4213802172280.05836731342670.5352333626470.30665.193-50.131
120.8661694073410.499493440649-0.1945063802580.7616602963110.3791255712170.4120192700960.4685229587280.72109938009-0.892970025916-0.6555617807980.04899000834420.9735064174480.5842754083070.2030944092430.0009628856523560.572121392683-0.00387637005462-0.2478565656040.5210225786920.007909015960340.635923448143-0.96856.707-57.642
130.00954473096132-0.0506799187124-0.03026181872830.08260455795170.05130853081280.1020909241190.402758502062-0.0835485273605-0.263490297871-0.2896580523510.18991019451-0.388335730731-0.280661831524-0.08469070971032.342881942350.855190097337-0.0141540321066-0.05418393495270.82764800562-0.01324588456290.4211072279895.41263.098-62.502
140.6596097301810.9739708250290.1162980389211.749311899860.6930454508190.9246572578770.1976934528770.373550156919-0.0186072118345-0.1420114217730.0790225321404-0.1520798672080.1916879614590.37256363190.0001867362816950.359867691708-0.00559415094837-0.01868861393230.4729085151430.03743328736430.4876005329444.45462.515-52.206
150.297315293483-0.3240458112020.1490284842610.299462004294-0.0371882951961.20426339813-0.09179465015780.39363487311-0.408234189539-1.279183604210.8598443333830.7274595109930.788460701363-0.1467123284460.06741046849120.505012133596-0.147227084081-0.2010439278610.5345119627260.1391174585390.816608342184-4.30452.774-53.632
160.03864664985920.291880485343-0.2938180708213.86067171671-3.893137818793.924993424020.1110444607280.395557949892-0.3986199544891.267029857550.9755263713690.753573490247-0.985716973927-0.6711156475640.1526149037580.47170445659-0.02262962763440.1045464615590.6393999066890.12793010870.958528372769-9.06566.18-50.257
171.85016542282-0.300251152244-0.8587505931691.393418887010.8561282734611.58187045254-0.158778090228-0.07062410909820.1438007993280.2039049680010.225315504652-0.609229395068-0.197737848851-0.1133775553580.0790257896740.6282914861920.0827817378152-0.1240740953610.701080443303-0.1462825652110.87581311335611.12655.684-20.053
183.98145896619-0.392363388939-2.085479065220.747916192988-0.3641108842341.543981351641.41053715711-1.377550382641.224908405460.2855766991670.629106580254-1.164470223880.451503414233-0.6029320579420.2681816267751.229879673610.0575975285356-0.2850542952071.09094187737-0.184482147311.1727320437411.8564.537-8.736
190.1355497201790.0988852587987-0.03735831691420.2552907473390.09398348340680.0814229298304-0.298719248607-0.4538431288340.780102823652-0.1992232317060.540731127824-0.862848018642-0.469311098747-1.19967226080.0005738402843770.7890799023460.119210033117-0.1675576941390.791130691578-0.1505426981511.0205698678215.74661.812-20.391
200.0468258474363-0.04411030800710.04642757823940.0273663742568-0.02186664477010.0420588251111-0.678260175534-0.9270220742871.130425220490.360795476309-0.0730582914586-0.132774400479-0.02348874031510.222115662937-0.000789243266351.335773887760.0394629267801-0.4257505916321.289278368820.0595832546471.2042177375517.6951.592-5.867
210.2023750729930.4558645094030.1807999051220.9252547079440.1089239365110.539317946580.339602809040.0364615589556-0.0608688138955-0.2895991934710.464501276308-0.6324875512770.473443534366-0.349510419560.04840096218220.5618988293140.0371681152303-0.1192016271050.683639718648-0.0334815056640.8703176612326.88252.085-20.822
220.551424211915-0.366572944470.138150159250.54510374657-0.4159966738010.39330989346-0.56904852709-0.960093395294-0.7023914569980.2826012513010.7671066620440.785807238819-0.180931705184-0.69457208067-0.003895199991090.885447402508-0.02937051740090.1069249459880.936997115940.1892770640971.24289187204-15.41845.765-11.742
230.402229728365-0.3085726951690.4055500255170.305490894249-0.3123138836890.384532966349-0.948976905443-1.088665193680.00603816833161.371087520760.4385137314720.8507955851540.271321970030.332482517507-0.05633223812040.686157128434-0.03902244249140.1355193196010.5927589743150.1293559043720.700980534996-16.48952.458-14.325
24-0.003007775951040.00594541311451-0.0130180069013-0.000682766000537-0.01354919115470.02073621540420.335783528890.4584986042610.564904269717-0.4723528909210.4434616710040.425245791506-0.1182888114150.5966247316580.001005465011831.2206059071-0.02738231410070.0701733328120.6192998517620.01413133544790.96872047873-10.19466.005-12.841
250.4047741855250.191725976018-0.3490012002120.393927950309-0.3576795478790.2746722658350.0917044324260.269384798152-0.601683868168-0.1558700774250.2257922972190.1609525269460.1395436761370.1509794414145.49724230427E-50.673223708152-0.00555135706504-0.01332910442410.7174662887720.02824761025070.852819735253-8.63151.765-24.548
260.217770735667-0.09148588759340.09749484651040.087806210072-0.1222467254010.152838774770.1051758979950.09462785144590.1934530997380.217732484703-0.0676905440888-0.450331154997-0.2090586359340.1535689378212.17127436253E-50.7379440410070.01574868693450.03334212446710.7532947468270.01554393772260.907875249643-17.98354.734-19.891
270.15758080614-0.0132503988556-0.1980366917870.0886563580712-0.03206253739620.205755450782-0.5199510185630.4442538524-1.27373879467-0.780501174832-0.0704037370943-0.1889745472310.672127340403-0.16806369874-0.0002385285596090.9015176127370.1175009337270.1235697844740.689134222471-0.1216913691271.76275745132-12.82137.402-23.419
281.40592952366-0.7720618758050.2787688460070.4292652833320.04658174605290.531439002885-0.739832701836-0.298913059325-0.2939158793070.1501755291491.22611070270.3006835056320.0736120016748-0.1576103876030.0003149472256980.6964520886180.0453817167830.04538400552730.8270075044670.1722004258850.84200883831-6.22751.728-13.911
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 0:21 )A0 - 21
2X-RAY DIFFRACTION2( CHAIN A AND RESID 22:55 )A22 - 55
3X-RAY DIFFRACTION3( CHAIN A AND RESID 56:133 )A56 - 133
4X-RAY DIFFRACTION4( CHAIN A AND RESID 134:158 )A134 - 158
5X-RAY DIFFRACTION5( CHAIN A AND RESID 159:182 )A159 - 182
6X-RAY DIFFRACTION6( CHAIN A AND RESID 183:203 )A183 - 203
7X-RAY DIFFRACTION7( CHAIN A AND RESID 204:216 )A204 - 216
8X-RAY DIFFRACTION8( CHAIN A AND RESID 217:239 )A217 - 239
9X-RAY DIFFRACTION9( CHAIN A AND RESID 240:253 )A240 - 253
10X-RAY DIFFRACTION10( CHAIN A AND RESID 254:265 )A254 - 265
11X-RAY DIFFRACTION11( CHAIN B AND RESID 1:30 )B1 - 30
12X-RAY DIFFRACTION12( CHAIN B AND RESID 31:46 )B31 - 46
13X-RAY DIFFRACTION13( CHAIN B AND RESID 47:51 )B47 - 51
14X-RAY DIFFRACTION14( CHAIN B AND RESID 52:77 )B52 - 77
15X-RAY DIFFRACTION15( CHAIN B AND RESID 78:90 )B78 - 90
16X-RAY DIFFRACTION16( CHAIN B AND RESID 91:99 )B91 - 99
17X-RAY DIFFRACTION17( CHAIN C AND RESID 1:56 )C1 - 56
18X-RAY DIFFRACTION18( CHAIN C AND RESID 57:67 )C57 - 67
19X-RAY DIFFRACTION19( CHAIN C AND RESID 68:81 )C68 - 81
20X-RAY DIFFRACTION20( CHAIN C AND RESID 82:89 )C82 - 89
21X-RAY DIFFRACTION21( CHAIN C AND RESID 90:113 )C90 - 113
22X-RAY DIFFRACTION22( CHAIN D AND RESID 1:17 )D1 - 17
23X-RAY DIFFRACTION23( CHAIN D AND RESID 18:24 )D18 - 24
24X-RAY DIFFRACTION24( CHAIN D AND RESID 25:32 )D25 - 32
25X-RAY DIFFRACTION25( CHAIN D AND RESID 33:67 )D33 - 67
26X-RAY DIFFRACTION26( CHAIN D AND RESID 68:81 )D68 - 81
27X-RAY DIFFRACTION27( CHAIN D AND RESID 82:89 )D82 - 89
28X-RAY DIFFRACTION28( CHAIN D AND RESID 90:113 )D90 - 113

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