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- PDB-7rk7: The complex between TIL 1383i TCR and human Class I MHC HLA-A2 wi... -

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Basic information

Entry
Database: PDB / ID: 7rk7
TitleThe complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide
Components
  • (TIL1383i (h3T) T cell receptor ...) x 2
  • Beta-2-microglobulin
  • HLA class I histocompatibility antigen, A alpha chain
  • Tyrosinase peptide
KeywordsIMMUNE SYSTEM / TCR / Class I Major Histocompatibility Complex / HLA-A*02
Function / homology
Function and homology information


eye pigment biosynthetic process / melanin biosynthetic process from tyrosine / Melanin biosynthesis / tyrosinase / tyrosinase activity / response to blue light / melanin biosynthetic process / melanosome membrane / response to vitamin D / positive regulation of memory T cell activation ...eye pigment biosynthetic process / melanin biosynthetic process from tyrosine / Melanin biosynthesis / tyrosinase / tyrosinase activity / response to blue light / melanin biosynthetic process / melanosome membrane / response to vitamin D / 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 / Golgi-associated vesicle / CD8 receptor binding / pigmentation / 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 / response to cAMP / detection of bacterium / T cell receptor binding / response to UV / visual perception / negative regulation of receptor binding / early endosome lumen / thymus development / 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 / 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 / antibacterial humoral response / positive regulation of cellular senescence / 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 / intracellular iron ion homeostasis / learning or memory / cell population proliferation / lysosome / defense response to Gram-positive bacterium / immune response
Similarity search - Function
Tyrosinase CuA-binding region signature. / : / Common central domain of tyrosinase / Tyrosinase and hemocyanins CuB-binding region signature. / Tyrosinase copper-binding domain / Di-copper centre-containing domain superfamily / 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 ...Tyrosinase CuA-binding region signature. / : / Common central domain of tyrosinase / Tyrosinase and hemocyanins CuB-binding region signature. / Tyrosinase copper-binding domain / Di-copper centre-containing domain superfamily / 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 / 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 / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
HLA class I histocompatibility antigen, A alpha chain / Tyrosinase / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.54 Å
AuthorsSingh, N.K. / Davancaze, L.M. / Arbuiso, A. / Weiss, L.I. / Keller, G.L.J. / Baker, B.M.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R35GM118166 United States
CitationJournal: Nat Commun / Year: 2022
Title: A class-mismatched TCR bypasses MHC restriction via an unorthodox but fully functional binding geometry.
Authors: Singh, N.K. / Alonso, J.A. / Devlin, J.R. / Keller, G.L.J. / Gray, G.I. / Chiranjivi, A.K. / Foote, S.G. / Landau, L.M. / Arbuiso, A.G. / Weiss, L.I. / Rosenberg, A.M. / Hellman, L.M. / ...Authors: Singh, N.K. / Alonso, J.A. / Devlin, J.R. / Keller, G.L.J. / Gray, G.I. / Chiranjivi, A.K. / Foote, S.G. / Landau, L.M. / Arbuiso, A.G. / Weiss, L.I. / Rosenberg, A.M. / Hellman, L.M. / Nishimura, M.I. / Baker, B.M.
History
DepositionJul 22, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 2, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature
Revision 1.3Oct 8, 2025Group: 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

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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 alpha chain
B: Beta-2-microglobulin
C: Tyrosinase peptide
D: TIL1383i (h3T) T cell receptor alpha chain
E: TIL1383i (h3T) T cell receptor beta chain


Theoretical massNumber of molelcules
Total (without water)97,0405
Polymers97,0405
Non-polymers00
Water1,47782
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: surface plasmon resonance, Binding orientation typical of TCR/pMHC complexes. Steady-state affinity determined by SPR to be 13 +/- 5 uM.
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10670 Å2
ΔGint-51 kcal/mol
Surface area37550 Å2
MethodPISA
Unit cell
Length a, b, c (Å)114.738, 74.428, 131.058
Angle α, β, γ (deg.)90.000, 93.487, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z

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Components

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Protein , 2 types, 2 molecules AB

#1: Protein HLA class I histocompatibility antigen, A alpha chain / Human leukocyte antigen A / HLA-A


Mass: 31854.203 Da / Num. of mol.: 1 / Fragment: UNP residues 25-299
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A, HLAA / Plasmid: pHN1 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1Blue / References: UniProt: P04439
#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 / Plasmid: pHN1 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1Blue / References: UniProt: P61769

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TIL1383i (h3T) T cell receptor ... , 2 types, 2 molecules DE

#4: Protein TIL1383i (h3T) T cell receptor alpha chain


Mass: 23655.314 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pGMT7 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): pLysS
#5: Protein TIL1383i (h3T) T cell receptor beta chain


Mass: 28619.744 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pGMT7 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): pLysS

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Protein/peptide / Non-polymers , 2 types, 83 molecules C

#3: Protein/peptide Tyrosinase peptide / LB24-AB / Monophenol monooxygenase / SK29-AB / Tumor rejection antigen AB


Mass: 1031.161 Da / Num. of mol.: 1 / Fragment: UNP residues 369-377 / Mutation: N371D / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P14679, tyrosinase
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 82 / 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: 2.88 Å3/Da / Density % sol: 57.26 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 16% PEG 3350, 2% tacsimate, 100mM Tris (pH 8.5)

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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 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 20, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.54→37.31 Å / Num. obs: 36440 / % possible obs: 99.52 % / Redundancy: 1.1 % / Biso Wilson estimate: 56.46 Å2 / CC1/2: 1 / CC star: 1 / Net I/σ(I): 8.27
Reflection shellResolution: 2.54→2.631 Å / Mean I/σ(I) obs: 2.07 / Num. unique obs: 3527 / CC1/2: 1 / CC star: 1

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
DIALSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3QDM

3qdm


Resolution: 2.54→37.21 Å / SU ML: 0.3881 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 28.9272
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2549 2006 5.51 %
Rwork0.2111 34426 -
obs0.2135 36432 99.48 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 89.53 Å2
Refinement stepCycle: LAST / Resolution: 2.54→37.21 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6213 0 0 82 6295
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00526359
X-RAY DIFFRACTIONf_angle_d0.92318601
X-RAY DIFFRACTIONf_chiral_restr0.0545914
X-RAY DIFFRACTIONf_plane_restr0.00461105
X-RAY DIFFRACTIONf_dihedral_angle_d18.21312294
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.54-2.60.37831420.31792304X-RAY DIFFRACTION94.62
2.6-2.670.35061390.30252456X-RAY DIFFRACTION99.88
2.67-2.750.34171400.3032469X-RAY DIFFRACTION99.92
2.75-2.840.35671510.28262459X-RAY DIFFRACTION99.89
2.84-2.940.3381290.24962431X-RAY DIFFRACTION99.92
2.94-3.060.27761470.23562445X-RAY DIFFRACTION99.88
3.06-3.20.28211450.24552479X-RAY DIFFRACTION100
3.2-3.370.28041530.24932447X-RAY DIFFRACTION99.88
3.37-3.580.30671390.21532474X-RAY DIFFRACTION99.85
3.58-3.850.24661410.20412442X-RAY DIFFRACTION99.73
3.85-4.240.21191430.18952489X-RAY DIFFRACTION99.62
4.24-4.850.19481450.16062496X-RAY DIFFRACTION99.81
4.85-6.110.23541430.18192478X-RAY DIFFRACTION100
6.11-37.210.23521490.20012557X-RAY DIFFRACTION99.74
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)
14.061001471321.7757005752-1.784288482784.77156958035-0.7314146172315.501353857310.0406102270331.043483474490.793685725488-1.316504908180.3297488720430.283924360914-0.782434517355-0.397728292796-0.3972550457940.8883975558030.05143594683760.1514250075990.9326336644040.2843560597360.7886259442482.69798529445-33.7057359361-45.4295442295
25.600905518241.13005432918-1.211269881425.15222472679-1.218087639674.249466686670.2277054661010.1945412680630.206307606638-0.254585093966-0.00659551187379-0.451199249621-0.1714584302380.369311700585-0.2080631987960.491552953855-0.005035379355840.1550211434280.5818947574250.06013893733760.6574998200398.22721576186-38.1436108646-31.475418166
32.843095364580.891143723463-2.200408912443.120712959241.658367664779.51417409676-0.5912487700630.371889806098-0.454677159826-0.614083109906-0.135410665541-0.01655942933010.836587248258-0.6101997127420.5667847103750.631632124290.02532020549990.08171073211590.657679791464-0.03527730807630.7301835513813.19281503189-50.2821511526-39.4637036716
45.2561652163-2.98535386914-2.551814603242.716609324880.4235881866292.08836371001-0.3429533639150.4857932332330.999530425559-0.7688778447470.0328508973536-0.3291852782640.331847573102-0.9527368376270.3531325412491.457312189840.08647933663610.1889157047411.52787844868-0.1534773603180.7468016536918.2662637722-42.3764451098-61.4744858103
52.711363157020.3062561752112.947379440131.986378734391.184597108733.744158759240.413153982566-0.300356055077-1.35324644833-0.3031563266650.289792398741-0.6001361667951.07083389272-0.0162902229224-0.4909481619221.45111773236-0.01412378487110.3921018455451.399060037190.2553952817561.2206024978428.5783812341-37.317374375-55.6500025192
60.8942651940370.19071204459-1.231586609210.9581693079611.193462810972.63344952086-0.260277860374-0.000939048767511-0.9338422770210.1940582838330.564855181449-0.3490065708090.2765192222250.143534735053-0.3313047634461.25084459061-0.0433651369420.3177288028321.447277875220.01107762873531.3085106218829.9354314776-38.4523027097-60.0618185199
77.04443711709-1.388015226-6.141639336870.8658705326460.3400955951977.230167425211.01100172752-0.5561522264981.44942820867-0.144764837565-0.384197876792-0.3238567189780.967905576111-0.267897722545-0.662483226371.06313903973-0.1551925006260.5094376534971.270372838970.2483282728061.5648598055422.171507418-23.9659627204-45.5126687588
81.67477510386-1.62682408177-0.356605068612.08733821976-0.9847804505314.11292963195-0.200742997379-0.1330935054920.739968253415-0.104614977435-2.108900786850.0516463821584-0.1573411813930.61005451191.757091695881.39398423722-0.3299903360740.1131448493781.81787608380.1093886616111.7142965397317.6740904806-25.9948594261-68.7617416277
92.803884563120.220533435594-0.2712889848293.45216128826-2.888784223538.62853999916-0.4255608751670.3342424168120.291292680359-0.314310102088-0.6420114072850.446800476617-0.8204299357261.047861156610.9247286917761.2764594393-0.1879578146860.1388416472451.190089264690.3958598069231.243200053215.9528215214-19.3654160929-50.7234486648
100.1524495574950.873782715814-0.03216635421976.18483045065-0.404250135180.03950637345750.0355489093704-1.30944629386-0.159733026884-0.490075810484-0.608071220742-1.80611869038-0.01357550077360.09055294813320.1558402859751.681869732170.1838672199110.2467418970431.82390443440.01574186849951.429282480486.85961465978-18.6201085706-56.8057924816
112.122148945252.27181002902-1.213123886073.14642645173-0.9281984153464.962125548480.2218983997490.1809177511990.546411639661-0.07731730465160.5290972221120.72070387617-0.974396187635-0.258340762187-0.5527957447910.999341116993-0.006145761814530.2788163118371.033878196890.2810030839991.1183590025913.9051497122-29.2863491491-46.5371811332
120.4160197015730.5775744464210.3930144811380.8893758614480.4929973493440.414181554438-0.555590462864-0.445487771781-0.295295860858-1.137567692090.8502765342340.665459550742-0.164026370517-0.780006807581-0.363541078671.65338629245-0.3798631241240.1539925753662.907285816911.055638976370.67429514631118.5968729209-16.183414957-69.1805948698
133.83470593927-0.77542864188-1.523646763390.934383824467-0.8629775389132.52771954643-0.0106496166752-0.2992384158780.633654362772-1.313256554520.776188402515-0.488659852517-1.590571303670.0637916957356-0.4899888116111.47415380014-0.1988713657970.4441949671141.043432088430.5082655766251.646618308620.4183573121-14.1803521322-45.8624004462
143.76011692084-3.21083468560.00561819583435.391270218293.763671882425.398609910090.8030114997060.8126234974781.69970658054-1.410677321791.66528689919-0.02018759628631.29969769087-0.923546687858-1.308463383491.90275489555-0.07592641649190.7887043340431.306967673240.2666701248591.4895969061125.5431216397-18.5129564609-59.8130720246
156.42466091251-0.9499801568070.7713507682152.669508498880.03821046772.13945443144-0.2208407828570.6412241101351.2652605903-0.5055498567180.1636159746130.756216797632-0.8464445102211.13804900101-0.1584527336190.6634196887210.00786413242462-0.02061239753990.6357682813380.1510303425220.7761321914780.577675652138-40.5594883738-32.9828037276
163.56346399407-0.604993026545-3.64663837730.313585151394-0.2661774423244.39635644190.1201285594530.447659334597-0.20493600393-0.0873793365002-0.1215954312560.121186220711-0.123986307883-0.6371750340090.04819202032930.400933894380.00158885346637-0.1003912364330.354652820142-0.04792003572760.480557692065-15.3583490345-55.0088281074-13.8544282962
176.18768778217-0.469576640732-2.643050569422.293736986820.7612078840752.693069946650.2346751691330.1453928984850.1472970077150.124461535702-0.125653686634-0.4370939736040.0377392602845-0.000507316033639-0.1062924798710.328768249126-0.00280956804817-0.1024985134880.3180312479120.04264301642670.467061859244-9.53140462593-46.0680547173-12.8569655851
183.367745869480.165967116663-2.486897000480.824829083867-1.201216717433.301112335930.2667944110250.2516407064440.107752892188-0.0478308434792-0.00289806724606-0.0729775746234-0.327991805095-0.0882815469424-0.2515262548090.3857958084420.0321509356521-0.1236769009480.364776888682-0.009746988702210.534789248187-12.9568067127-48.6497327222-16.2824051909
195.04204066774-1.92758683302-4.525403614893.12789603159-0.04681039778498.57381193949-0.380687817336-0.418402963682-0.4331091225320.613640328170.2559279045450.298746925819-0.6597978728030.1115879679590.1309532069140.5214051387060.004041308813750.02800189758750.2787863812870.02049391140560.687260746794-24.5081320983-53.11362046386.9089784047
202.976986487193.294869984633.612387817716.510903805190.8264407373688.60009411171-0.602452308416-1.48260849084-0.5182084739121.14848776028-0.2195382306392.496078859610.187294315102-1.8886968467-0.6289863771310.857856019635-0.05021392453840.5642129702670.4923842487960.2601175467381.24672268822-44.7459564877-41.806244528613.3694169654
217.00266041071-1.151341236351.445132063923.03388015873-0.4162906694814.453180471310.07651476372070.512528030448-1.92832115844-0.251702288916-0.0868599726851.724989500720.630283664992-0.621022005310.0491883293490.6422879827080.0834407423218-0.1123615700930.702179865092-0.1376809971281.28839906731-39.0216401046-54.41797057143.84916163648
226.28988300688-1.445748606361.441285379975.19670095234-0.2037676727745.1339284233-0.109407401280.0996581744506-0.3330828290130.413213717555-0.05695350055670.8412885929320.4415147532190.009467916378050.2361883210950.5831141767740.00767764216547-0.007224281925330.3364506465280.1141083513780.824584881567-32.4225339251-45.34833744818.28298120962
233.52527709048-3.00068671516-2.709831159192.540030809732.283142570132.03618764246-0.2482050123770.728451160155-0.9135279574580.224217252431-0.6212668234591.224315481871.56367654388-1.780663278280.7317748669541.01318921004-0.2017381327760.1404075648820.8068384915160.1837986328311.84455821829-48.3356621382-51.47287034199.13687339797
245.09513910108-0.928984527522-0.5151887614954.439581160490.357380470783.003059711330.5259035123570.7715874037990.66163366354-1.21380663515-0.594817320433-0.16238317178-0.439706410138-0.274648205360.03818017981370.6805711159760.233905226936-0.07382531014360.56379027880.0677500901930.497572538342-25.1921833441-31.5201745952-25.0006019711
255.63233645421-3.79104565304-3.27772943442.982669183921.406406276862.210412628240.376257370562-0.01559053665320.41485904777-0.477215463368-0.179534505052-0.0663938926547-0.3736327722950.12321185362-0.1401031706250.429204402770.0533990723086-0.08571617376740.3883160290510.04226683330890.483982557531-24.6547489968-33.337766853-17.8537706202
263.11526201319-0.6354886380320.05204576278453.249984687410.805737251013.59173488693-0.353147834558-0.442890841798-0.06790744873390.606848445760.04246842639390.7125644403210.3980213865640.1437062730470.2525527040920.494797872520.06220982991340.09824448491750.392475988105-0.03315272014920.723881201275-37.803144695-36.61572447798.74082614662
273.86896608182-1.72637502081.835260625794.667327366810.2603386812044.031951217540.3700933760560.258358687552-0.792262609005-0.112007151633-0.1588374445240.7209417731060.813877741664-0.0145205704541-0.0651745670.4305291258450.0170324249148-0.05895847921990.381178934202-0.0292999239960.653460264587-37.5084300671-38.1687582511-1.54471313813
282.30495718252-1.376059938661.493271016561.88654954965-1.433990400843.73671196608-0.303034091225-0.181595873385-0.01394465633590.4236787303910.1540679687090.374206966722-0.591102061002-0.1551116451880.1508485890430.4910528175440.05304617616940.001344495760220.330693379958-0.02552258024550.617976222533-39.5667366822-28.56472553094.4445914887
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 57 )AA1 - 571 - 57
22chain 'A' and (resid 58 through 149 )AA58 - 14958 - 149
33chain 'A' and (resid 150 through 173 )AA150 - 173150 - 173
44chain 'A' and (resid 174 through 202 )AA174 - 202174 - 189
55chain 'A' and (resid 203 through 233 )AA203 - 233190 - 209
66chain 'A' and (resid 234 through 272 )AA234 - 272210 - 238
77chain 'B' and (resid 1 through 11 )BB1 - 111 - 11
88chain 'B' and (resid 12 through 23 )BB12 - 2312 - 20
99chain 'B' and (resid 24 through 47 )BB24 - 4721 - 41
1010chain 'B' and (resid 48 through 52 )BB48 - 5242 - 46
1111chain 'B' and (resid 53 through 69 )BB53 - 6947 - 63
1212chain 'B' and (resid 71 through 79 )BB71 - 7964 - 70
1313chain 'B' and (resid 80 through 91 )BB80 - 9171 - 82
1414chain 'B' and (resid 92 through 99 )BB92 - 9983 - 90
1515chain 'C' and (resid 1 through 9 )CC1 - 91 - 9
1616chain 'D' and (resid 8 through 37 )DD8 - 371 - 30
1717chain 'D' and (resid 38 through 71 )DD38 - 7131 - 64
1818chain 'D' and (resid 72 through 113 )DD72 - 11365 - 106
1919chain 'D' and (resid 114 through 127 )DD114 - 127107 - 120
2020chain 'D' and (resid 128 through 146 )DD128 - 146121 - 139
2121chain 'D' and (resid 147 through 161 )DD147 - 161140 - 154
2222chain 'D' and (resid 162 through 186 )DD162 - 186155 - 179
2323chain 'D' and (resid 187 through 198 )DD187 - 198180 - 189
2424chain 'E' and (resid 7 through 90 )EE7 - 901 - 84
2525chain 'E' and (resid 91 through 132 )EE91 - 13285 - 126
2626chain 'E' and (resid 133 through 170 )EE133 - 170127 - 164
2727chain 'E' and (resid 171 through 196 )EE171 - 196165 - 190
2828chain 'E' and (resid 197 through 253 )EE197 - 253191 - 247

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