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- PDB-5u1r: Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR -

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Basic information

Entry
Database: PDB / ID: 5u1r
TitleStructure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
Components
  • (MAIT T-cell receptor ...) x 2
  • Beta-2-microglobulin
  • Major histocompatibility complex class I-related gene protein
KeywordsIMMUNE SYSTEM / T-cell Receptor
Function / homology
Function and homology information


positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / positive regulation of receptor binding / early endosome lumen ...positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / 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 / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / negative regulation of forebrain neuron differentiation / regulation of erythrocyte differentiation / peptide antigen assembly with MHC class I protein complex / ER to Golgi transport vesicle membrane / regulation of iron ion transport / response to molecule of bacterial origin / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / MHC class I protein complex / negative regulation of neurogenesis / positive regulation of receptor-mediated endocytosis / peptide antigen assembly with MHC class II protein complex / multicellular organismal-level iron ion homeostasis / MHC class II protein complex / cellular response to nicotine / specific granule lumen / positive regulation of cellular senescence / positive regulation of T cell mediated cytotoxicity / recycling endosome membrane / phagocytic vesicle membrane / peptide antigen binding / antigen processing and presentation of exogenous peptide antigen via MHC class II / negative regulation of epithelial cell proliferation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / positive regulation of immune response / Interferon gamma signaling / Modulation by Mtb of host immune system / positive regulation of T cell activation / sensory perception of smell / negative regulation of neuron projection development / positive regulation of protein binding / tertiary granule lumen / DAP12 signaling / MHC class II protein complex binding / late endosome membrane / iron ion transport / ER-Phagosome pathway / T cell differentiation in thymus / early endosome membrane / protein refolding / defense response to Gram-negative bacterium / protein homotetramerization / intracellular iron ion homeostasis / amyloid fibril formation / learning or memory / defense response to Gram-positive bacterium / immune response / Amyloid fiber formation / endoplasmic reticulum lumen / lysosomal membrane / Golgi membrane / external side of plasma membrane / innate immune response / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / Golgi apparatus / endoplasmic reticulum / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function
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 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : ...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 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / 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 / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
ACETATE ION / 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID / Beta-2-microglobulin / Major histocompatibility complex class I-related gene protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.7 Å
AuthorsKeller, A.N. / Rossjohn, J.
Funding support Australia, 2items
OrganizationGrant numberCountry
Australian Research Council (ARC)CE140100011 Australia
Australian Research Council (ARC)AF50 Australia
CitationJournal: Nat. Immunol. / Year: 2017
Title: Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Authors: Keller, A.N. / Eckle, S.B. / Xu, W. / Liu, L. / Hughes, V.A. / Mak, J.Y. / Meehan, B.S. / Pediongco, T. / Birkinshaw, R.W. / Chen, Z. / Wang, H. / D'Souza, C. / Kjer-Nielsen, L. / Gherardin, ...Authors: Keller, A.N. / Eckle, S.B. / Xu, W. / Liu, L. / Hughes, V.A. / Mak, J.Y. / Meehan, B.S. / Pediongco, T. / Birkinshaw, R.W. / Chen, Z. / Wang, H. / D'Souza, C. / Kjer-Nielsen, L. / Gherardin, N.A. / Godfrey, D.I. / Kostenko, L. / Corbett, A.J. / Purcell, A.W. / Fairlie, D.P. / McCluskey, J. / Rossjohn, J.
History
DepositionNov 28, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 15, 2017Provider: repository / Type: Initial release
Revision 1.1Apr 5, 2017Group: Database references / Derived calculations
Revision 1.2Jan 1, 2020Group: Author supporting evidence / Data collection / Category: diffrn_source / pdbx_audit_support
Item: _diffrn_source.pdbx_synchrotron_site / _pdbx_audit_support.funding_organization
Revision 1.3Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / diffrn_radiation_wavelength / pdbx_initial_refinement_model
Item: _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
C: Major histocompatibility complex class I-related gene protein
D: MAIT T-cell receptor alpha chain
E: MAIT T-cell receptor beta chain
F: Beta-2-microglobulin
A: Major histocompatibility complex class I-related gene protein
B: MAIT T-cell receptor alpha chain
G: MAIT T-cell receptor beta chain
H: Beta-2-microglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)188,66718
Polymers187,5758
Non-polymers1,09210
Water3,099172
1
C: Major histocompatibility complex class I-related gene protein
D: MAIT T-cell receptor alpha chain
E: MAIT T-cell receptor beta chain
F: Beta-2-microglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,37310
Polymers93,7884
Non-polymers5856
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10180 Å2
ΔGint-64 kcal/mol
Surface area36140 Å2
MethodPISA
2
A: Major histocompatibility complex class I-related gene protein
B: MAIT T-cell receptor alpha chain
G: MAIT T-cell receptor beta chain
H: Beta-2-microglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,2948
Polymers93,7884
Non-polymers5064
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9970 Å2
ΔGint-48 kcal/mol
Surface area36500 Å2
MethodPISA
Unit cell
Length a, b, c (Å)212.571, 69.650, 142.850
Angle α, β, γ (deg.)90.000, 103.380, 90.000
Int Tables number5
Space group name H-MC121

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Components

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Protein , 2 types, 4 molecules CAFH

#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.: 2 / Fragment: UNP residues 23-292
Source method: isolated from a genetically manipulated source
Details: Fragment: extracellular domain, residues 23-292 / Source: (gene. exp.) Homo sapiens (human) / Gene: MR1 / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q95460
#4: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 2 / Fragment: UNP residues 21-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P61769

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MAIT T-cell receptor ... , 2 types, 4 molecules DBEG

#2: Protein MAIT T-cell receptor alpha chain


Mass: 22650.072 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
#3: Protein MAIT T-cell receptor beta chain


Mass: 27546.562 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRAV/TRAC / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)

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Non-polymers , 5 types, 182 molecules

#5: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#6: Chemical ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H3O2
#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
#8: Chemical ChemComp-DIF / 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID / DICLOFENAC


Mass: 296.149 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C14H11Cl2NO2 / Comment: antiinflammatory, medication*YM
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 172 / Source method: isolated from a natural source / Formula: H2O

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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: 2.75 Å3/Da / Density % sol: 55.21 % / Mosaicity: 0.64 °
Crystal growTemperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: BTP, PEG 3350, NaAc

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.953 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 22, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.953 Å / Relative weight: 1
ReflectionResolution: 2.7→48.995 Å / Num. obs: 55497 / % possible obs: 98.6 % / Redundancy: 2.8 % / Biso Wilson estimate: 43.34 Å2 / Net I/σ(I): 6.7
Reflection shellResolution: 2.7→2.78 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.743 / CC1/2: 0.701 / % possible all: 99.2

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
SCALA0.3.11data scaling
PHASERphasing
PDB_EXTRACT3.2data extraction
MOSFLMdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4L4T

4l4t


Resolution: 2.7→48.995 Å / SU ML: 0.37 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.83 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2375 2779 5.01 %
Rwork0.1873 52657 -
obs0.1899 55436 98.43 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 173.04 Å2 / Biso mean: 54.4197 Å2 / Biso min: 15.63 Å2
Refinement stepCycle: final / Resolution: 2.7→48.995 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12776 0 70 172 13018
Biso mean--58.2 38.5 -
Num. residues----1605
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00513249
X-RAY DIFFRACTIONf_angle_d1.36918025
X-RAY DIFFRACTIONf_chiral_restr0.0421900
X-RAY DIFFRACTIONf_plane_restr0.0042372
X-RAY DIFFRACTIONf_dihedral_angle_d17.1694786
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.7-2.74660.37121440.31762619276399
2.7466-2.79650.37351580.30682625278399
2.7965-2.85030.33931230.28562618274199
2.8503-2.90850.32811370.25942641277899
2.9085-2.97170.33991280.2452600272899
2.9717-3.04080.26911420.23892662280499
3.0408-3.11690.29821490.23382575272498
3.1169-3.20110.3151270.22612621274899
3.2011-3.29530.25641280.22152663279199
3.2953-3.40170.29071320.20342633276599
3.4017-3.52320.2451370.18572610274799
3.5232-3.66420.22761420.17422661280399
3.6642-3.83090.21721420.16782627276999
3.8309-4.03280.20881490.16042624277399
4.0328-4.28530.20481530.14862627278099
4.2853-4.6160.17051390.13122618275798
4.616-5.08010.16271400.12952580272096
5.0801-5.81420.19471260.15772583270996
5.8142-7.32130.23081460.19472695284199
7.3213-49.00280.22631370.18612775291299
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)
12.7574-0.1092-0.63452.9464-0.23441.5509-0.1067-0.27990.61210.13330.0568-0.0436-0.2605-0.10160.07050.33430.1134-0.13690.52420.0060.4932-42.702144.7907188.5231
21.3917-1.83160.28362.6771-0.87742.60240.13270.2664-0.1879-0.1384-0.0678-0.79450.1030.2954-0.04370.24630.0369-0.0380.24220.13720.427-38.696536.7911182.279
31.6385-0.94280.10884.2013-0.20526.4081-0.23140.64190.7951-0.4409-0.158-0.2597-0.84460.24030.35150.413-0.1663-0.21180.74350.2490.5987-63.448246.0772160.2495
47.8902-3.52621.97763.4586-0.28862.9218-0.0429-0.18630.2741-0.13160.1228-0.11030.028-0.1923-0.060.30190.0125-0.05360.19710.01560.1954-18.810523.9215193.8607
59.478-6.23154.90634.2501-3.25972.5540.67971.1627-0.0538-0.6618-0.44910.02590.56630.5886-0.13590.38870.1029-0.10080.4784-0.13510.20223.103614.3149202.1913
64.93680.1529-0.77044.94060.59547.16670.0514-0.0788-0.47190.5062-0.068-0.11360.7597-0.04470.07760.38710.0315-0.03550.1854-0.06620.32064.00988.5158216.9089
73.3014-0.160.20172.8402-1.48162.8325-0.0308-0.76370.57480.3237-0.14980.1148-0.5623-0.71860.14440.39020.149-0.11050.7017-0.20270.38-29.875332.249213.7458
83.0721-1.74283.21333.0514-3.68397.2725-0.0227-0.55590.1197-0.61820.18280.3080.6292-1.3846-0.12520.47870.0057-0.12150.5357-0.17120.3493-23.816527.5638215.2527
96.7290.1634-2.12271.13280.40454.26110.03890.2311-0.06220.1134-0.14750.0521-0.0013-0.37680.0830.29170.0221-0.07710.1933-0.05440.1738-2.189821.2692224.9291
101.9941-0.4379-0.5072.7295-0.48481.8986-0.4739-0.71541.4131-0.3956-0.0386-0.0463-0.5269-0.35010.50930.57530.1067-0.35170.59030.07421.063-58.288857.6125178.0679
115.6872-3.7858-1.73416.07370.82983.0647-0.7094-0.4744-0.9217-0.30630.80491.9215-0.2374-1.2958-0.37010.3150.1637-0.29090.9904-0.1380.8585-78.114745.761174.5226
122.6763.4407-2.50486.3926-2.07023.5021-0.5030.07981.87720.49210.27320.4687-0.4836-0.40070.12580.56820.216-0.35790.5988-0.10950.8628-61.558153.2395182.6094
136.5033-3.4467-3.98034.84710.07083.8115-0.569-0.99781.1411.15590.96090.7867-0.7461-0.6382-0.49990.73120.5652-0.20781.1845-0.31351.3208-71.718659.1063187.0523
144.66571.1085-4.07947.0652-3.23725.3583-0.2293-1.004-0.73740.5301-0.1501-0.2776-0.904-0.57650.26070.51210.0469-0.28090.7390.00950.442-56.847649.6314185.63
151.91480.40521.78683.42580.11196.1379-0.79-0.71131.49391.12760.50240.4369-0.4773-0.45990.28740.53820.21-0.08070.4858-0.02840.7665-66.569249.4658183.9369
161.8537-0.639-0.63380.4653-0.24681.10020.0232-0.50040.00120.14190.18620.1393-0.0441-0.0639-0.08980.2910.2457-0.30331.2506-0.04771.1062-82.639855.9371177.9022
173.04752.12840.89011.9944-0.3662.1501-0.6246-0.70370.32260.54640.25640.0702-0.8174-0.48150.28210.67330.2918-0.35630.7202-0.35321.5942-63.025163.4879184.3624
185.844-0.18191.31013.5456-2.17334.51310.4590.3418-0.4572-0.8489-0.29620.25090.5547-0.3452-0.41520.8110.3753-0.6150.91240.02791.1426-71.107759.0203175.7554
191.8839-0.10530.05234.0923-0.06231.9479-0.1019-0.39830.02840.0216-0.1147-0.2101-0.00020.01040.19610.20450.0110.00120.49650.03780.20378.719425.4653251.869
202.7330.5358-0.8691.3058-0.82482.2648-0.05920.04420.17010.08570.0570.3623-0.2409-0.31150.01660.25330.0386-0.04570.2912-0.07950.11190.557129.2959245.5382
215.0772-1.2541-1.39676.15370.16.4060.19220.3836-0.1337-0.17530.021-0.61040.44040.4834-0.17920.23-0.0325-0.01830.1979-0.02240.309826.419936.8185223.6306
224.90050.295-1.7211.2241-1.36674.5049-0.16670.1985-0.0508-0.06450.08940.07360.2108-0.39350.09080.28230.0605-0.05550.4898-0.14780.2368-24.39427.5732256.5746
234.23840.2569-4.23170.7079-0.51244.60090.0674-0.10940.15650.22720.14640.34370.3518-0.4847-0.05060.4352-0.004-0.06570.70910.06310.3928-39.137726.9971273.0016
249.6213-0.75010.38165.8546-0.58145.68870.09250.25580.7286-0.05560.05950.373-0.2455-0.81750.04380.27-0.04230.05070.6571-0.00780.471-50.243629.4921277.6374
256.22740.2299-1.90882.6547-2.38492.6122-0.231-0.4241-0.32110.5686-0.1486-0.10661.01340.15080.43290.42990.03380.0230.80380.06680.1076-15.560422.9055283.7439
263.4027-0.1011-1.95972.6191.99914.9945-0.1609-0.34320.03910.1804-0.0284-0.0381-0.06910.4260.18470.33820.0925-0.10770.50160.01020.21-8.274127.1813274.3274
278.0777-0.967-6.5044.7511-0.73835.74240.068-0.97570.5010.330.3303-0.0088-0.46160.7727-0.30420.42120.0453-0.01150.6677-0.05250.2174-22.86932.1681292.027
288.57262.10893.68375.1231.95355.93580.5894-0.7167-1.05210.0804-0.02010.37040.8734-0.9288-0.47110.4159-0.1014-0.07460.52660.09910.3203-43.359420.3989285.6057
293.6056-0.3661.18276.31550.8525.2410.2493-0.117-0.6393-0.1210.558-0.23860.23770.0947-0.59310.3713-0.001-0.07430.41950.02570.3608-35.72926.9102283.9727
305.7120.87133.45793.11722.50853.4220.55340.1152-0.94740.74990.31290.91130.609-0.4091-0.53250.5426-0.1971-0.07130.64870.20240.5474-46.299216.845282.6415
314.3004-1.2534-0.34853.67070.00784.21250.6545-0.9116-0.98420.2122-0.00510.01810.81180.1502-0.69070.67310.0125-0.09860.71810.22320.4092-31.361217.614293.1629
325.0756-1.2959-0.56064.8022-1.79522.98060.4204-1.1175-0.69541.26030.33970.25640.3057-0.1601-0.73230.72460.0963-0.09990.89790.22230.3534-32.447220.7562297.7737
337.78543.13871.42797.2432.10834.2052-0.0861-0.21520.0083-0.286-0.3976-0.5533-0.40390.53020.45550.19560.04-0.07510.38880.10260.289331.647531.5378240.6464
346.33595.44710.37945.831.01440.87020.3861-0.8425-0.56610.9642-0.5301-0.4754-0.60780.3780.18440.4201-0.017-0.1520.59030.12110.365731.20730.5608247.4374
356.91411.55481.18977.97-0.82290.3619-0.2021-2.19090.13122.18280.4156-0.27920.70750.7916-0.19320.8394-0.0466-0.33031.29860.06660.605237.922836.3122253.5169
368.8035.9585.27054.24243.50694.82790.345-0.6040.1520.5536-0.6032-0.11080.1882-0.48960.34020.3006-0.06950.05950.4520.11430.275617.932526.309247.0236
379.36414.06340.00257.7837-0.74182.96110.1031-0.45080.55810.3783-0.0764-0.3284-0.86970.9370.09790.5049-0.1946-0.21990.71840.03140.384835.890637.4211245.1704
381.95241.7588-1.1398.1574-1.58150.8933-0.2192-0.16830.01950.944-0.0885-0.3083-0.27040.4761-0.0240.36010.0756-0.28830.64640.3340.785636.067923.2436248.5824
399.3118-0.8411-0.82793.74760.17032.00790.39210.61060.8205-0.4513-0.7078-0.3375-0.130.31870.1230.19670.1590.13910.71840.21030.890340.296132.1671238.191
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'C' and (resid 0 through 133 )C0 - 133
2X-RAY DIFFRACTION2chain 'C' and (resid 134 through 182 )C134 - 182
3X-RAY DIFFRACTION3chain 'C' and (resid 183 through 269 )C183 - 269
4X-RAY DIFFRACTION4chain 'D' and (resid 1 through 103 )D1 - 103
5X-RAY DIFFRACTION5chain 'D' and (resid 104 through 116 )D104 - 116
6X-RAY DIFFRACTION6chain 'D' and (resid 117 through 199 )D117 - 200
7X-RAY DIFFRACTION7chain 'E' and (resid 2 through 94 )E2 - 94
8X-RAY DIFFRACTION8chain 'E' and (resid 95 through 124 )E95 - 124
9X-RAY DIFFRACTION9chain 'E' and (resid 125 through 244 )E125 - 244
10X-RAY DIFFRACTION10chain 'F' and (resid 1 through 11 )F1 - 11
11X-RAY DIFFRACTION11chain 'F' and (resid 12 through 19 )F12 - 19
12X-RAY DIFFRACTION12chain 'F' and (resid 20 through 35 )F20 - 35
13X-RAY DIFFRACTION13chain 'F' and (resid 36 through 46 )F36 - 46
14X-RAY DIFFRACTION14chain 'F' and (resid 47 through 61 )F47 - 61
15X-RAY DIFFRACTION15chain 'F' and (resid 62 through 71 )F62 - 71
16X-RAY DIFFRACTION16chain 'F' and (resid 72 through 77 )F72 - 77
17X-RAY DIFFRACTION17chain 'F' and (resid 78 through 90 )F78 - 90
18X-RAY DIFFRACTION18chain 'F' and (resid 91 through 97 )F91 - 97
19X-RAY DIFFRACTION19chain 'A' and (resid 0 through 133 )A0 - 133
20X-RAY DIFFRACTION20chain 'A' and (resid 134 through 182 )A134 - 182
21X-RAY DIFFRACTION21chain 'A' and (resid 183 through 269 )A183 - 269
22X-RAY DIFFRACTION22chain 'B' and (resid 1 through 91 )B1 - 91
23X-RAY DIFFRACTION23chain 'B' and (resid 92 through 135 )B92 - 135
24X-RAY DIFFRACTION24chain 'B' and (resid 136 through 200 )B136 - 200
25X-RAY DIFFRACTION25chain 'G' and (resid 2 through 14 )G2 - 14
26X-RAY DIFFRACTION26chain 'G' and (resid 15 through 109 )G15 - 109
27X-RAY DIFFRACTION27chain 'G' and (resid 110 through 124 )G110 - 124
28X-RAY DIFFRACTION28chain 'G' and (resid 125 through 162 )G125 - 162
29X-RAY DIFFRACTION29chain 'G' and (resid 163 through 188 )G163 - 188
30X-RAY DIFFRACTION30chain 'G' and (resid 189 through 203 )G189 - 203
31X-RAY DIFFRACTION31chain 'G' and (resid 204 through 225 )G204 - 225
32X-RAY DIFFRACTION32chain 'G' and (resid 226 through 242 )G226 - 242
33X-RAY DIFFRACTION33chain 'H' and (resid 0 through 19 )H0 - 19
34X-RAY DIFFRACTION34chain 'H' and (resid 20 through 41 )H20 - 41
35X-RAY DIFFRACTION35chain 'H' and (resid 42 through 51 )H42 - 51
36X-RAY DIFFRACTION36chain 'H' and (resid 52 through 61 )H52 - 61
37X-RAY DIFFRACTION37chain 'H' and (resid 62 through 77 )H62 - 77
38X-RAY DIFFRACTION38chain 'H' and (resid 78 through 90 )H78 - 90
39X-RAY DIFFRACTION39chain 'H' and (resid 91 through 99 )H91 - 99

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