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- PDB-5e9d: RD-1 Mart-1 High bound to Mart-1 decameric peptide (ELA) in compl... -

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Basic information

Entry
Database: PDB / ID: 5e9d
TitleRD-1 Mart-1 High bound to Mart-1 decameric peptide (ELA) in complex with HLA-A2
Components
  • A6-TCR Valpha
  • A6-TCR Vbeta
  • Beta-2-microglobulin
  • HLA class I histocompatibility antigen, A-2 alpha chain
  • Melanoma derived Mart-1 peptide
KeywordsPROTEIN BINDING / single chain TCR-pMHC Complex
Function / homology
Function and homology information


melanosome membrane / positive regulation of memory T cell activation / T cell mediated cytotoxicity directed against tumor cell target / TAP complex binding / Golgi medial cisterna / positive regulation of CD8-positive, alpha-beta T cell activation / CD8-positive, alpha-beta T cell activation / positive regulation of CD8-positive, alpha-beta T cell proliferation / T cell receptor complex / CD8 receptor binding ...melanosome membrane / positive regulation of memory T cell activation / T cell mediated cytotoxicity directed against tumor cell target / TAP complex binding / Golgi medial cisterna / positive regulation of CD8-positive, alpha-beta T cell activation / CD8-positive, alpha-beta T cell activation / positive regulation of CD8-positive, alpha-beta T cell proliferation / T cell receptor complex / CD8 receptor binding / antigen processing and presentation of exogenous peptide antigen via MHC class I / beta-2-microglobulin binding / endoplasmic reticulum exit site / Regulation of MITF-M-dependent genes involved in pigmentation / TAP binding / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-dependent / protection from natural killer cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / detection of bacterium / T cell receptor binding / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / Endosomal/Vacuolar pathway / lumenal side of endoplasmic reticulum membrane / 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 / MHC class II protein complex / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / trans-Golgi network / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of iron ion transport / regulation of erythrocyte differentiation / HFE-transferrin receptor complex / response to molecule of bacterial origin / MHC class I peptide loading complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / cellular response to nicotine / positive regulation of T cell mediated cytotoxicity / multicellular organismal-level iron ion homeostasis / specific granule lumen / positive regulation of type II interferon production / phagocytic vesicle membrane / recycling endosome membrane / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Interferon alpha/beta signaling / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / antibacterial humoral response / tertiary granule lumen / melanosome / DAP12 signaling / T cell differentiation in thymus / T cell receptor signaling pathway / E3 ubiquitin ligases ubiquitinate target proteins / negative regulation of neuron projection development / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / adaptive immune response / intracellular iron ion homeostasis / learning or memory / cell surface receptor signaling pathway / defense response to Gram-positive bacterium / immune response / endoplasmic reticulum lumen / Amyloid fiber formation / signaling receptor binding / Golgi membrane / lysosomal membrane / innate immune response / external side of plasma membrane / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity
Similarity search - Function
Protein melan-A / Protein melan-A / : / : / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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 ...Protein melan-A / Protein melan-A / : / : / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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/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
T cell receptor alpha variable 12-2 / T cell receptor beta variable 6-5 / HLA class I histocompatibility antigen, A alpha chain / HLA class I histocompatibility antigen, A alpha chain / Beta-2-microglobulin / Melanoma antigen recognized by T-cells 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.51 Å
AuthorsSingh, N.K. / Baker, B.M.
CitationJournal: Structure / Year: 2016
Title: An Engineered Switch in T Cell Receptor Specificity Leads to an Unusual but Functional Binding Geometry.
Authors: Harris, D.T. / Singh, N.K. / Cai, Q. / Smith, S.N. / Vander Kooi, C.W. / Procko, E. / Kranz, D.M. / Baker, B.M.
History
DepositionOct 15, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 8, 2016Provider: repository / Type: Initial release
Revision 1.1Jul 20, 2016Group: Database references
Revision 1.2Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / diffrn_radiation_wavelength / pdbx_initial_refinement_model / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _database_2.pdbx_DOI ..._citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation
Revision 1.3Nov 6, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class I histocompatibility antigen, A-2 alpha chain
B: Beta-2-microglobulin
C: Melanoma derived Mart-1 peptide
D: A6-TCR Valpha
E: A6-TCR Vbeta
F: HLA class I histocompatibility antigen, A-2 alpha chain
G: Beta-2-microglobulin
H: Melanoma derived Mart-1 peptide
I: A6-TCR Valpha
J: A6-TCR Vbeta


Theoretical massNumber of molelcules
Total (without water)151,79110
Polymers151,79110
Non-polymers00
Water1,31573
1
A: HLA class I histocompatibility antigen, A-2 alpha chain
B: Beta-2-microglobulin
C: Melanoma derived Mart-1 peptide
D: A6-TCR Valpha
E: A6-TCR Vbeta


Theoretical massNumber of molelcules
Total (without water)75,8955
Polymers75,8955
Non-polymers00
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7060 Å2
ΔGint-42 kcal/mol
Surface area27970 Å2
MethodPISA
2
F: HLA class I histocompatibility antigen, A-2 alpha chain
G: Beta-2-microglobulin
H: Melanoma derived Mart-1 peptide
I: A6-TCR Valpha
J: A6-TCR Vbeta


Theoretical massNumber of molelcules
Total (without water)75,8955
Polymers75,8955
Non-polymers00
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7190 Å2
ΔGint-41 kcal/mol
Surface area27800 Å2
MethodPISA
Unit cell
Length a, b, c (Å)50.438, 164.484, 95.201
Angle α, β, γ (deg.)90.00, 100.56, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 4 types, 8 molecules AFBGDIEJ

#1: Protein HLA class I histocompatibility antigen, A-2 alpha chain / MHC class I antigen A*2


Mass: 31854.203 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A, HLAA / Production host: Escherichia coli (E. coli) / References: UniProt: P01892, UniProt: P04439*PLUS
#2: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 2
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
#4: Protein A6-TCR Valpha


Mass: 14256.660 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRAV12-2 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A075B6T6
#5: Protein A6-TCR Vbeta


Mass: 16919.906 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRBV6-5 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0K0K1A5

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Protein/peptide / Non-polymers , 2 types, 75 molecules CH

#3: Protein/peptide Melanoma derived Mart-1 peptide


Mass: 985.176 Da / Num. of mol.: 2 / Mutation: A2L / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q16655*PLUS
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 73 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.8 Å3/Da / Density % sol: 56.01 %
Crystal growTemperature: 300 K / Method: vapor diffusion, hanging drop / pH: 5.6 / Details: PEG 4000, 0.002 M Zinc Acetate, 5% 2- propanol. / PH range: 5.4 - 5.8

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 8, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.5→20.04 Å / Num. obs: 47876 / % possible obs: 92.4 % / Redundancy: 3.3 % / Rmerge(I) obs: 0.131 / Net I/σ(I): 10.1
Reflection shellResolution: 2.5→2.59 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.548 / % possible all: 74.3

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Phasing

PhasingMethod: molecular replacement
Phasing MRR rigid body: 0.616
Highest resolutionLowest resolution
Rotation20.04 Å2.81 Å

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
HKL-2000data collection
SCALEPACKdata scaling
MOLREP11.1.03phasing
PDB_EXTRACT3.15data extraction
PHENIXmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4FTV

4ftv


Resolution: 2.51→20.04 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 28.78 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.232 1847 4.17 %Random Selection
Rwork0.18 ---
obs0.183 44297 84.9 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.51→20.04 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9610 0 0 73 9683
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00310008
X-RAY DIFFRACTIONf_angle_d0.72413565
X-RAY DIFFRACTIONf_dihedral_angle_d13.2483629
X-RAY DIFFRACTIONf_chiral_restr0.0281416
X-RAY DIFFRACTIONf_plane_restr0.0031766
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5054-2.5730.3843900.31512119X-RAY DIFFRACTION55
2.573-2.64850.3432850.29562397X-RAY DIFFRACTION62
2.6485-2.73380.31131290.2852447X-RAY DIFFRACTION65
2.7338-2.83130.31861190.26592844X-RAY DIFFRACTION73
2.8313-2.94430.29671430.24743151X-RAY DIFFRACTION83
2.9443-3.07780.27371500.2383471X-RAY DIFFRACTION90
3.0778-3.23950.28931640.20873570X-RAY DIFFRACTION93
3.2395-3.44150.23771570.19783721X-RAY DIFFRACTION96
3.4415-3.70560.23571570.17723683X-RAY DIFFRACTION96
3.7056-4.07570.22281620.16293704X-RAY DIFFRACTION96
4.0757-4.6590.20861630.13863765X-RAY DIFFRACTION97
4.659-5.84560.17211630.14043701X-RAY DIFFRACTION96
5.8456-20.03870.19631650.15193877X-RAY DIFFRACTION99
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)
13.7340.0737-0.19482.0371-0.10884.2085-0.14840.3256-0.5439-0.06130.0437-0.26420.16770.02360.0790.3464-0.03680.04480.4064-0.0650.46845.5057-4.24248.1546
20.80380.1116-0.57051.70680.24494.49350.11690.05510.2211-0.2395-0.0080.0341-0.84130.0507-0.04760.44010.0061-0.01140.34970.02680.42244.52326.99490.658
31.70090.81721.00891.1854-0.01283.0049-0.12480.26030.8379-0.57820.01610.2482-0.7242-0.0839-0.16891.119-0.00410.04850.5010.12850.71118.012812.4862-23.1397
40.98720.16861.13372.86550.12711.2049-0.2769-0.17850.4413-0.20310.23930.14050.477-0.15590.05040.6804-0.0488-0.11780.48550.02430.36595.1236-5.5034-17.0801
52.9792-0.4532-1.94081.56391.03152.5525-0.46220.142-0.11940.50010.01750.20120.9321-0.52430.38220.7585-0.13460.00490.46750.01840.3663.9211-10.758-13.1399
61.4726-0.0928-0.09062.7425-0.06364.6612-0.49450.6584-0.84750.44790.3697-0.63782.05750.10910.12510.8528-0.10840.1580.584-0.04590.6518.8471-19.4473-16.181
73.7122-1.0749-3.67732.61321.97085.9567-0.16170.29860.1477-0.1367-0.0139-0.12510.6925-0.40620.34770.6372-0.1284-0.05310.36990.04020.32487.1405-8.5068-12.9999
82.14411.4716-1.1210.9363-0.50471.4487-0.56240.1829-0.20780.37650.13960.57940.4272-0.68630.06660.8026-0.3820.07780.8269-0.11710.443-4.3221-13.9019-16.1665
94.83770.3924-1.84852.3243-0.21742.85250.69160.61880.8057-0.4788-0.0088-0.1084-0.0388-0.1173-0.23650.8598-0.03060.0410.65390.12820.41564.2242-6.9557-25.5057
100.38880.1595-0.43481.4597-0.42670.53140.5038-0.3058-0.1071-0.06010.1805-0.95210.0107-0.15130.2885-0.0804-0.0734-0.02010.47990.00470.63943.8148-0.513717.3122
113.1237-3.9653-4.07564.98035.1055.23550.2421-0.36880.39280.44770.2328-0.4091-0.34940.9699-0.44940.568-0.11790.03410.4183-0.03290.493218.66789.156142.3313
120.80490.8773-0.05973.67381.44653.1711-0.0090.025-0.25860.3787-0.1135-0.0655-0.33170.1336-0.07870.2004-0.0704-0.03740.3702-0.04580.657213.831514.829237.1568
131.80090.1522-1.30032.3388-0.48133.76450.0639-0.1562-0.15410.451-0.00550.2095-0.0341-0.29060.05490.258-0.05460.01770.3724-0.03760.39255.25727.184941.6548
141.57110.6728-2.15032.862-1.98627.36490.21390.21460.2332-0.2152-0.17410.2757-0.8175-0.8516-0.17270.28-0.0542-0.0380.34970.03120.39274.935610.527731.2937
153.5856-4.1169-4.17364.6794.784.84590.28440.08170.6017-0.474-0.29070.568-0.527-0.3981-0.15590.4954-0.01910.08290.4908-0.07330.67622.849419.070832.0222
162.7647-1.7038-1.88361.58031.74044.22110.11470.0080.6671-0.4950.1581-0.3405-0.2340.6637-0.30.2596-0.07660.00790.4241-0.05760.483912.711515.674631.593
173.79831.8298-3.04113.7892-2.21982.6510.46060.41910.7661-0.08620.45211.2726-0.6305-0.915-0.41160.5758-0.03570.12350.5501-0.04620.52112.29521.206445.6805
181.78540.60780.764.09763.22676.0817-0.135-0.0394-0.0550.76440.09670.41550.57330.1631-0.34750.2355-0.0462-0.03840.3052-0.01350.364410.09997.358539.0963
192.22231.57040.30322.22231.32834.8912-0.1077-0.38290.08510.79640.15070.4212-0.0321-0.6689-0.04640.59060.02080.04270.4156-0.03880.52350.6011-8.364754.1177
205.1892-1.31144.27253.28-0.67576.1210.0883-0.7572-0.68320.22970.41690.63170.6489-1.277-0.23140.3192-0.09350.03420.4790.07650.4216-1.1188-12.096745.5487
211.151-0.4314-0.26243.59180.04074.183-0.1497-0.1009-0.18130.10880.0203-0.37410.3220.51130.11880.3491-0.0085-0.02910.3333-0.00710.35896.6686-11.324140.6243
220.51910.90470.59941.30660.36012.2222-0.03550.0328-0.11590.2211-0.1210.0187-0.10390.25870.11440.2207-0.00330.05290.34280.01660.39924.4432-7.041742.1607
235.0463-5.19934.88838.9155-4.89894.81960.2889-1.29010.12631.7121-0.1291-0.41310.1732-0.316-0.08240.9719-0.0831-0.02970.6323-0.00070.443110.3806-9.15658.9108
245.9203-1.06910.65341.8031-0.61964.1892-0.4676-0.56120.56170.49330.2923-0.0975-0.3204-0.15810.17930.47460.06430.00730.4011-0.07760.3868-3.9881-37.012367.1683
252.9757-0.18850.29732.336-0.82494.1774-0.2015-0.58640.77340.20510.028-0.3017-0.2390.16540.21460.4983-0.0209-0.00070.5911-0.17360.57897.0277-32.828969.414
268.3594-0.68952.07591.2466-0.53524.5469-0.31090.41840.80890.08220.1004-0.0885-0.10070.07770.23960.4741-0.0713-0.00470.2355-0.04550.3802-3.1762-34.508456.2466
275.2089-1.53570.73952.97780.28813.5290.0257-0.4489-0.3252-0.06880.18980.21010.3519-0.36480.04940.4848-0.06680.13120.3494-0.03110.3474-7.6543-45.834862.2333
282.8343-1.15320.03532.3593-0.19853.8782-0.34430.2257-0.5276-0.11530.10210.30690.7248-0.10380.07190.4083-0.08970.09380.294-0.04520.3672-4.5912-49.656156.1302
291.75450.2426-0.10312.00170.31442.32270.2342-0.7520.240.1468-0.0580.2720.6270.2438-0.02421.0106-0.04480.00040.59050.04610.4624-5.353-49.715993.8799
302.0230.92530.4523.6032-0.04472.92680.2322-0.2333-0.45630.2777-0.23810.52050.8468-0.30440.06561.1815-0.03390.16180.55930.0640.6627-11.5522-54.930393.7685
311.91540.0511-0.07792.66740.51521.7958-0.01010.0592-0.5925-0.05140.36210.1085-0.5226-0.15010.04160.84090.08690.210.50430.05640.4839-12.8487-37.577786.4335
320.90630.16081.07950.66060.6143.6373-0.1047-0.1238-0.0067-0.39370.0745-0.1422-0.9361-0.46270.00040.80470.11770.15140.52850.05540.4264-10.8839-32.317381.3408
333.1210.00442.86191.2874-0.05264.5552-0.0071-0.6741-0.32260.0089-0.18770.06040.0946-1.59620.2190.93670.25560.20040.84740.02250.483-18.4183-31.867390.4136
340.72890.3774-1.13232.4749-1.16683.79530.06670.38670.0490.41140.3268-0.135-0.74740.1528-0.18260.4023-0.046-0.0860.3249-0.01910.4097-0.8037-41.844354.3287
350.9195-1.3085-1.26492.85834.17057.1379-0.6010.6009-0.3655-0.8512-0.3086-1.33380.60310.76570.26990.64550.04270.30110.6405-0.05650.68623.3567-48.503237.1681
363.9063-1.1261-0.894.802-3.09443.38790.10840.6957-0.5296-0.94130.30680.05220.8050.18990.26911.47330.19980.44260.5403-0.06480.911419.088-64.994429.6207
372.9097-0.8186-0.71533.2006-0.96553.1646-0.4995-0.19940.1961-0.39410.1208-1.02730.20580.29360.36520.29060.01450.05650.29250.04720.626117.5051-49.566446.2897
381.48730.711-0.82955.7106-1.06332.6721-0.22180.45690.1532-1.26650.0977-0.31160.10690.3150.19140.42-0.03180.00960.4029-0.04820.272710.3917-48.885832.4064
393.9808-1.3638-0.83022.9482-2.16057.7629-0.48760.1962-0.6552-0.51290.01160.25260.8932-0.75790.0770.4205-0.1013-0.05910.2416-0.04630.416.828-52.549442.0088
400.253-0.9669-1.55494.36266.47379.72910.040.1945-0.3509-0.37020.04410.46510.81610.31690.11511.10090.02870.01060.3870.02980.60896.5652-61.544640.663
412.31151.3364-0.68014.7475-1.86497.6254-0.53930.0261-0.5146-1.38220.128-0.10551.4496-0.2261-0.16090.4720.1758-0.06910.3683-0.02780.373613.8786-58.646139.412
421.34190.77821.75732.25293.74886.55520.24560.4468-0.00120.1360.1874-0.4419-0.42460.5516-0.21040.6581-0.00250.06570.22640.07280.31514.0095-48.673636.2423
432.422-2.0948-2.78432.47722.61053.63630.1938-0.02270.6514-0.72030.1157-0.6348-0.38410.508-0.25790.413-0.05420.08580.38010.00560.513111.1226-40.209344.0574
443.5102-0.8249-0.42060.5499-0.57754.214-1.14080.024-0.937-0.5517-0.9239-0.1240.09950.23321.0271.06250.11330.23310.4961-0.00360.661819.6391-57.900527.0275
452.9008-1.247-0.82491.09080.45764.05250.27020.16470.0312-0.7666-0.30440.24770.3009-0.0711-0.07750.8096-0.10930.02750.45150.03060.53588.3393-33.813518.5642
469.26533.9799-4.42325.3639-0.38733.65610.16890.631.0498-1.30260.36890.3348-0.2197-0.37930.05570.4985-0.0128-0.18990.48940.10080.34258.5266-27.276621.5808
472.54090.86843.22872.19121.95484.5171-0.21230.8431-0.1323-0.7710.4280.6150.4194-0.72080.0760.5129-0.08650.05390.70680.08290.7444-5.6235-35.993433.2712
481.08391.8681-1.70925.2273-0.75664.797-0.3346-0.51920.1687-0.15220.0563-1.06250.17090.83140.2690.3435-0.0375-0.06190.43450.06470.423612.7813-35.032332.6431
490.05990.0879-0.18412.01180.13260.2858-0.5839-0.29580.3324-0.32180.5047-0.6076-0.19881.00080.02790.4309-0.0436-0.01680.6828-0.06320.50759.5771-26.501337.2829
503.22730.1718-3.04763.65310.56373.0534-0.2612-0.00010.724-1.37760.26090.0043-0.724-0.17030.13080.3853-0.0097-0.12940.4159-0.00710.30252.4828-26.362330.2542
511.54371.26460.90362.8438-0.89162.14070.5667-0.58221.0028-0.2422-0.4991-0.2185-0.52750.3109-0.23220.8466-0.17640.34470.5703-0.06240.618517.0828-25.783824.0368
523.1838-0.4816-2.19411.6277-0.65113.21880.64010.0520.2732-0.2532-0.3264-0.17940.05740.2636-0.29470.4098-0.0082-0.01980.38560.03670.30428.7171-36.777929.2286
533.09591.28553.30380.93561.80174.0015-0.1125-0.6242-0.03010.37930.29830.0576-0.1969-0.4235-0.15470.4809-0.10450.06230.2853-0.00060.3787-2.698-37.311844.8949
542.42351.0356-1.32933.0684-1.22663.351-0.21950.3857-0.1343-0.47630.0484-0.15290.0975-0.08510.03240.6742-0.04320.10640.3486-0.03670.37198.9009-38.57127.0368
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:118 )A1 - 118
2X-RAY DIFFRACTION2( CHAIN A AND RESID 119:206 )A119 - 206
3X-RAY DIFFRACTION3( CHAIN A AND RESID 207:275 )A207 - 275
4X-RAY DIFFRACTION4( CHAIN B AND RESID 2:19 )B2 - 19
5X-RAY DIFFRACTION5( CHAIN B AND RESID 20:41 )B20 - 41
6X-RAY DIFFRACTION6( CHAIN B AND RESID 42:51 )B42 - 51
7X-RAY DIFFRACTION7( CHAIN B AND RESID 52:77 )B52 - 77
8X-RAY DIFFRACTION8( CHAIN B AND RESID 78:90 )B78 - 90
9X-RAY DIFFRACTION9( CHAIN B AND RESID 91:99 )B91 - 99
10X-RAY DIFFRACTION10( CHAIN C AND RESID 1:10 )C1 - 10
11X-RAY DIFFRACTION11( CHAIN D AND RESID 2:9 )D2 - 9
12X-RAY DIFFRACTION12( CHAIN D AND RESID 10:30 )D10 - 30
13X-RAY DIFFRACTION13( CHAIN D AND RESID 31:43 )D31 - 43
14X-RAY DIFFRACTION14( CHAIN D AND RESID 44:52 )D44 - 52
15X-RAY DIFFRACTION15( CHAIN D AND RESID 53:59 )D53 - 59
16X-RAY DIFFRACTION16( CHAIN D AND RESID 60:75 )D60 - 75
17X-RAY DIFFRACTION17( CHAIN D AND RESID 76:83 )D76 - 83
18X-RAY DIFFRACTION18( CHAIN D AND RESID 84:111 )D84 - 111
19X-RAY DIFFRACTION19( CHAIN E AND RESID 2:14 )E2 - 14
20X-RAY DIFFRACTION20( CHAIN E AND RESID 15:30 )E15 - 30
21X-RAY DIFFRACTION21( CHAIN E AND RESID 31:75 )E31 - 75
22X-RAY DIFFRACTION22( CHAIN E AND RESID 76:109 )E76 - 109
23X-RAY DIFFRACTION23( CHAIN E AND RESID 110:116 )E110 - 116
24X-RAY DIFFRACTION24( CHAIN F AND RESID 1:37 )F1 - 37
25X-RAY DIFFRACTION25( CHAIN F AND RESID 38:56 )F38 - 56
26X-RAY DIFFRACTION26( CHAIN F AND RESID 57:85 )F57 - 85
27X-RAY DIFFRACTION27( CHAIN F AND RESID 86:118 )F86 - 118
28X-RAY DIFFRACTION28( CHAIN F AND RESID 119:174 )F119 - 174
29X-RAY DIFFRACTION29( CHAIN F AND RESID 175:195 )F175 - 195
30X-RAY DIFFRACTION30( CHAIN F AND RESID 198:274 )F198 - 274
31X-RAY DIFFRACTION31( CHAIN G AND RESID 2:19 )G2 - 19
32X-RAY DIFFRACTION32( CHAIN G AND RESID 20:71 )G20 - 71
33X-RAY DIFFRACTION33( CHAIN G AND RESID 72:99 )G72 - 99
34X-RAY DIFFRACTION34( CHAIN H AND RESID 1:10 )H1 - 10
35X-RAY DIFFRACTION35( CHAIN I AND RESID 2:9 )I2 - 9
36X-RAY DIFFRACTION36( CHAIN I AND RESID 10:17 )I10 - 17
37X-RAY DIFFRACTION37( CHAIN I AND RESID 18:30 )I18 - 30
38X-RAY DIFFRACTION38( CHAIN I AND RESID 31:43 )I31 - 43
39X-RAY DIFFRACTION39( CHAIN I AND RESID 44:52 )I44 - 52
40X-RAY DIFFRACTION40( CHAIN I AND RESID 53:59 )I53 - 59
41X-RAY DIFFRACTION41( CHAIN I AND RESID 60:83 )I60 - 83
42X-RAY DIFFRACTION42( CHAIN I AND RESID 84:91 )I84 - 91
43X-RAY DIFFRACTION43( CHAIN I AND RESID 92:103 )I92 - 103
44X-RAY DIFFRACTION44( CHAIN I AND RESID 104:109 )I104 - 109
45X-RAY DIFFRACTION45( CHAIN J AND RESID 2:14 )J2 - 14
46X-RAY DIFFRACTION46( CHAIN J AND RESID 15:25 )J15 - 25
47X-RAY DIFFRACTION47( CHAIN J AND RESID 26:30 )J26 - 30
48X-RAY DIFFRACTION48( CHAIN J AND RESID 31:49 )J31 - 49
49X-RAY DIFFRACTION49( CHAIN J AND RESID 50:63 )J50 - 63
50X-RAY DIFFRACTION50( CHAIN J AND RESID 64:75 )J64 - 75
51X-RAY DIFFRACTION51( CHAIN J AND RESID 76:86 )J76 - 86
52X-RAY DIFFRACTION52( CHAIN J AND RESID 87:94 )J87 - 94
53X-RAY DIFFRACTION53( CHAIN J AND RESID 95:99 )J95 - 99
54X-RAY DIFFRACTION54( CHAIN J AND RESID 100:115 )J100 - 115

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