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- PDB-8vcy: Human TCR A2.13 in complex with DQ8-InsC8-15NPY -

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Basic information

Entry
Database: PDB / ID: 8vcy
TitleHuman TCR A2.13 in complex with DQ8-InsC8-15NPY
Components
  • (MHC class II HLA-DQ- ...) x 2
  • (T-CELL-RECEPTOR, TCR A2.13 ...) x 2
  • Hybrid insulin peptide (HIP; InsC8-15-NPY68-74)
KeywordsIMMUNE SYSTEM / Immune receptor complex
Function / homology
Function and homology information


antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / MHC class II protein complex / adaptive immune response / endosome membrane / lysosomal membrane
Similarity search - Function
MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site ...MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
PHOSPHATE ION / MHC class II HLA-DQ-beta-1 / MHC class II HLA-DQ-alpha chain
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsTran, T.M. / Lim, J.J. / Loh, T.Y. / Mannering, I.S. / Rossjohn, J. / Reid, H.H.
Funding support Australia, 2items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)2008981 Australia
National Health and Medical Research Council (NHMRC, Australia)APP1123586 Australia
CitationJournal: To Be Published
Title: A structural basis of T cell cross-reactivity to a native and spliced self-antigens presented by HLA-DQ8
Authors: Tran, T.M. / Lim, J.J. / Loh, T.Y. / Mannering, I.S. / Rossjohn, J. / Reid, H.H.
History
DepositionDec 14, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 7, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: MHC class II HLA-DQ-alpha chain
B: MHC class II HLA-DQ-beta-1
C: Hybrid insulin peptide (HIP; InsC8-15-NPY68-74)
D: T-CELL-RECEPTOR, TCR A2.13 alpha
E: T-CELL-RECEPTOR, TCR A2.13 beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,15616
Polymers94,8735
Non-polymers1,28311
Water2,612145
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area16210 Å2
ΔGint-89 kcal/mol
Surface area35420 Å2
MethodPISA
Unit cell
Length a, b, c (Å)67.803, 106.695, 132.962
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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MHC class II HLA-DQ- ... , 2 types, 2 molecules AB

#1: Protein MHC class II HLA-DQ-alpha chain / DQA1*03:01 (DQ8-alpha chain)


Mass: 21124.516 Da / Num. of mol.: 1 / Mutation: I75C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Tissue: Skin, lymphoid, lungs, stomach and intestines / Cell: B Lymphocytes, dendritic cells, macrophages / Gene: HLA-DQA1 / Organ: Parenchyma / Plasmid: pZip3 / Cell (production host): cabbage looper ovarian / Cell line (production host): High Five (BTI-Tn-5B1-4) / Organ (production host): ovary / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): DH10B / References: UniProt: Q30069
#2: Protein MHC class II HLA-DQ-beta-1 / DQB1*03:02 (DQ8-beta chain)


Mass: 22605.383 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: Class II histocompatibility antigen, alpha domain / Source: (gene. exp.) Homo sapiens (human) / Tissue: Skin, lymphoid, lungs, stomach and intestines / Cell: B Lymphocytes, dendritic cells, macrophages / Gene: HLA-DQB1 / Organ: Parenchyma / Plasmid: pZip3 / Cell line (production host): High Five (BTI-Tn-5B1-4) / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): DH10B / References: UniProt: O19707

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T-CELL-RECEPTOR, TCR A2.13 ... , 2 types, 2 molecules DE

#4: Protein T-CELL-RECEPTOR, TCR A2.13 alpha


Mass: 22633.219 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Tissue: Islets of Langerhans / Cell: Beta cells / Gene: TRAV26-1*01 / Organ: Pancreas / Plasmid: pET30 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): Escherichia coli (E.coli)
#5: Protein T-CELL-RECEPTOR, TCR A2.13 beta


Mass: 27076.092 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Tissue: Islets of Langerhans / Cell: Beta cells / Gene: TRBV5-1*01 / Organ: Pancreas / Plasmid: pET30 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): Escherichia coli (E.coli)

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Protein/peptide / Sugars , 2 types, 3 molecules C

#3: Protein/peptide Hybrid insulin peptide (HIP; InsC8-15-NPY68-74)


Mass: 1433.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Tissue: Islets of Langerhans / Cell: Beta cells / Organ: Pancreas / Plasmid: pZip3 / Cell (production host): cabbage looper ovarian / Cell line (production host): High Five (BTI-Tn-5B1-4) / Organ (production host): ovary / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): DH10B
#6: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 154 molecules

#7: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO4
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 145 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.53 Å3/Da / Density % sol: 51.47 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 0.2 M Potassium sodium tartrate, 14% PEG 20,000 with seeding C8 silver bullet (Hampton Research)

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95373 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 28, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95373 Å / Relative weight: 1
ReflectionResolution: 2.6→49.51 Å / Num. obs: 30434 / % possible obs: 100 % / Redundancy: 10.6 % / Biso Wilson estimate: 33.3 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.102 / Rpim(I) all: 0.046 / Rrim(I) all: 0.112 / Net I/σ(I): 16.5
Reflection shellResolution: 2.6→2.72 Å / Rmerge(I) obs: 0.349 / Mean I/σ(I) obs: 7.8 / Num. unique obs: 3659 / CC1/2: 0.982 / Rpim(I) all: 0.109

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Processing

Software
NameVersionClassification
PHENIX1.19_4092refinement
autoXDSdata reduction
Coot0.9.8.92model building
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.6→49.51 Å / SU ML: 0.2777 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.4641
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.225 1425 4.69 %
Rwork0.1845 28948 -
obs0.1865 30373 99.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 37.01 Å2
Refinement stepCycle: LAST / Resolution: 2.6→49.51 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6296 0 78 145 6519
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0026526
X-RAY DIFFRACTIONf_angle_d0.49268887
X-RAY DIFFRACTIONf_chiral_restr0.0439981
X-RAY DIFFRACTIONf_plane_restr0.00361149
X-RAY DIFFRACTIONf_dihedral_angle_d12.01042321
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.6-2.690.29561240.22922855X-RAY DIFFRACTION99.97
2.69-2.80.25191370.22262853X-RAY DIFFRACTION100
2.8-2.930.2951450.2242835X-RAY DIFFRACTION100
2.93-3.080.24821340.22952890X-RAY DIFFRACTION100
3.08-3.280.26831460.20862843X-RAY DIFFRACTION100
3.28-3.530.25451450.19262877X-RAY DIFFRACTION100
3.53-3.880.2361460.18242870X-RAY DIFFRACTION99.97
3.88-4.440.17611440.14952918X-RAY DIFFRACTION100
4.45-5.60.16641590.13912932X-RAY DIFFRACTION100
5.6-49.510.21271450.18583075X-RAY DIFFRACTION99.94
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)
13.8004332733-2.547037284272.014061509252.11014768361-0.5284252646524.018411116570.0687645929149-0.0713243906044-0.204984313528-0.02353810945920.0896807184559-0.07235787693830.316912873624-0.203028441671-0.1772657926290.233207372564-0.00688940943297-0.004541401050390.180181020471-0.06183083239250.2712282950251.0178.62914.323
21.86633493811-2.7165643276-0.8105055488664.119962806440.5586101870922.8810247110.2718138820430.04398881667740.115940468113-0.06342044548980.112308001825-0.2995744180770.07476271789290.603603178176-0.3890525082210.301414617362-0.02115786704910.02104372550160.252094901156-0.1266812169230.31455322697710.83411.84512.454
32.91414377433-0.2858737890084.678358985715.368944300340.8309042904298.80513147403-0.1715549879570.6349510864230.468599050664-0.4836628657740.0657979273842-0.38850269435-0.6595471005240.6772362293360.05700632880930.28644401957-0.03013394400080.0223921788560.234067025047-0.02950217262920.2844414868138.64920.3019.566
48.21834215693-1.149714873134.059831859723.59688578311-2.481756983253.91469966302-0.7236408023630.4619274282631.41018875192-0.0226698283752-0.265313230987-0.152828512818-1.18443545107-0.4290325547570.6311269551470.4595168565490.0256780636612-0.04860636964680.2627177327870.03219464659220.395285154222.05327.69210.3
51.69286300829-1.089166382070.5482503891036.277911364440.06918696431262.71763176970.212706091130.110495646306-0.309474371051-0.007484251765360.0575068864271-0.2761031770360.2853663218520.328016968999-0.2359471958350.1688927485620.0212776516655-0.09909314455290.201612139838-0.07040148458280.30289469275614.758.67923.98
60.538529335135-0.6625757420071.390189892940.894698746994-1.978654187354.632130101380.4307319629140.0448067071326-0.128717374069-0.3145570482810.1317140011490.03703543043941.12437116420.46069616791-0.3959265501330.6500630656610.18546213734-0.2263065529590.327216567825-0.188076731420.51088694834615.265-6.49512.71
77.26199061602-1.260478017380.1342836766074.605978297113.411408176355.4903090463-0.1271663028290.939592161170.389508705923-0.5047550397550.113909058232-0.298680097834-0.1904221835170.344104665134-0.130869058940.290356437187-0.0448819754031-0.004999057239360.329361392853-0.02628076489320.1324178014794.39511.413-14.538
82.80876532386-1.504967427722.961729727772.95908160263-2.344900860177.695880705950.2353269674410.2272059641520.179381151352-0.158224818714-0.100539162428-0.2433095603420.8000970342180.880375371071-0.1949614996240.3611891649730.0772427333807-0.02009569991620.405787767034-0.143739247980.25512680039311.96.908-3.152
92.583933040941.02525405158-0.9840123113973.30755868923-3.204365517786.16599993287-0.1438404897650.334122247259-0.414387712829-0.174597459533-0.224963914771-0.7505492525020.3826267247040.3655163474430.3345478257790.2961345492920.013102442614-0.06061962612220.419828661628-0.1639439583410.40956972059911.2418.6370.265
103.06210907513-0.8501391501150.9426786769195.39237739841-0.7194070662413.463307643060.03133821566891.274394719290.0593035390014-0.694685629077-0.0489228599173-0.652797190160.5807105756351.795288303360.218936983690.3815189922780.08006988223470.08031075106080.860435657174-0.1167761160090.43061132205412.93710.763-12.092
110.220220878081-0.06971236513630.6472100283790.0183301920079-0.1981799557841.995654120140.08743116408270.370804171905-0.0289860101949-0.2549799534010.186160574361-0.2072934068830.3599450971440.634119319298-0.1461251203570.9482554499180.598703662838-0.001322977561070.823684819902-0.5012913051560.16560521086215.888-0.356-6.369
121.247690097940.244887079381-0.103381712951.959610735770.0352170342923.502510645910.3631642384460.402885373614-0.0269743434579-0.0352553918292-0.105085114429-0.2566499626120.2817498920050.27674303098-0.1617771776220.237178376290.0340800541862-0.04051142062020.162613426875-0.06992597629830.2571701317548.0563.94715.301
137.25103698676-6.059802978711.492856660818.7764827047-0.6245350404044.976666275360.383425946953-0.201396761586-0.286523795701-0.133428175005-0.09317858383020.4476106681070.280277620833-0.667812622345-0.2731362098670.269059032941-0.0945253514424-0.03203310231880.166027806646-0.01025264014830.248458294076-5.3627.80220.048
143.03292930021-1.58320904488-0.9450139807014.19292827031.424522420692.957034723340.0902902186882-0.0842758516056-0.5444351029920.2775985108930.2002077178320.1728236739810.584550010462-0.224442860292-0.2307753196870.288963595066-0.0380836325356-0.14257021980.1343869328740.04784887046870.4214555388132.3880.4727.935
158.79291196684-1.089553555573.117334720915.46451115002-5.683855652876.81043659949-0.183803879141-0.588339132020.6250926858090.5250353003890.0869715571346-0.529250983356-0.65209021339-0.4074548190270.1004865436430.2233578439780.0587243900793-0.02574775745990.244078771491-0.0432104666540.236401941816-1.69513.41531.517
161.47210442545-0.2409893133792.200273369441.952327165351.803398392185.64492303821-0.261328323787-0.1697383059880.349069329932-0.1193327030570.2142993095290.29154219176-1.06068068388-0.9461124720720.1553154790120.2879495871760.0624650700018-0.0121547456270.223990862260.005453703587870.367141462701-7.96321.8079.778
173.273623713290.8770237029841.971865426553.425542219411.974950344995.5912545204-0.01664362292570.3494318334780.315938961048-0.5411880774570.0329791830710.276649017147-0.195247620367-0.100587769305-0.04957211271640.3516540635980.0180599254436-0.03800707555580.2115823122780.06887457959230.198075363394-10.0888.263-12.942
183.36314845701-0.5813041277980.3294022822211.42899826946-1.386935576331.358491997330.04062511480040.5559493001030.140617109107-0.673913188049-0.2913037952580.4641967533060.180048088186-0.5581671644590.2377068680250.7032834964740.0949844428932-0.1989321269810.4366669851330.09757699798750.267870005901-16.3938.164-22.386
191.55568850567-0.1470692036431.049521753141.259158272961.032602531614.431223410330.2264910761210.2939370591630.27702448746-0.741928556282-0.405235882956-0.0116329521743-0.969898669843-0.808943190290.1357333855070.5410122436750.125920283672-0.1139152771940.2555714972930.0884325020440.374876354974-15.36715.662-18.995
207.82158360723-4.19286332507-1.541763728545.405019882934.318969142674.169795845780.2775148285110.6121772446670.632236751549-0.3021538240790.2445557695720.466316879028-1.61755618972-0.776418442136-0.3128015385910.4807666287530.1228740741960.009277913872510.275513870193-0.01930283410080.3730672657720.96626.15419.847
212.11001429452-0.540037829971.306453136522.7098226358-1.50830437422.684552733740.6244532100090.0935970633887-0.2482121425960.72530034944-0.286945830958-0.630170643635-0.1036662235640.8062175488910.04078846273640.3014733538170.0485947018144-0.1281909294210.2781373799660.0501719443790.50491958672410.9137.13929.609
221.957720820750.9205978814371.190182581712.988829066310.5583260734061.49901543311-0.161453207676-0.02527683651560.260995895931-0.29348166724-0.13979510.149012286502-1.15405131755-0.172457667360.2564013427180.3950759065340.112361291121-0.004645835939610.209875866360.005578946219960.312532274939-2.27636.22140.912
234.88393288834-0.1392932954690.2071490693353.734028735551.098041324076.398538896420.104590896278-0.05237746848550.1132488738680.117497349582-0.01108942290580.134542162681-0.236626728881-0.369816975791-0.02919073779140.1971669021240.04166148203970.045559420770.05899797334610.02232286670440.1867181955370.91326.33943.199
241.672945666580.1096099253270.1493392334911.350409558451.588054333053.931189162160.254147688577-0.05622804951510.0583551426798-0.0786046205316-0.103340542863-0.0737814176516-0.471481169368-0.34814497475-0.0483781764660.2606020876420.07506509563820.03192661383590.1530730843380.02822299264020.2298878008351.18130.99440.734
252.250186896062.4926529643.508397644693.962638386944.569565847215.835718582250.0198619409274-0.4518027816160.114394165225-0.197573812271-0.4587510154030.173094018358-0.478594745679-0.9440581924640.5169503317430.3243237377650.0548896092189-0.0511770098820.277949216766-0.04423220745220.2360824223112.87744.16765.496
268.65684841283-3.106608194122.886266876425.95875745926-1.243712394288.4088239844-0.366221254087-0.709944982840.43878296810.1794650482240.290606578306-1.177680256-0.04862994342880.7243498832250.08394143481250.3530506969150.000520836966226-0.06575219680910.260942394149-0.04399895561850.41927135480621.54147.22774.485
278.478896713897.04832345738-5.9866747727.31042315803-3.568370686376.17830340418-0.1796100124430.7562757046780.708673200737-0.304949014480.171571156813-0.373562223167-0.620221488284-0.0729205404703-0.01778332282320.5332747143220.0251366997346-0.09326420251020.4154368081510.107745055220.46659677517110.74752.54363.423
285.650748413666.29323739692-1.14290588619.55173074717-1.703704951354.88551999353-0.3125734055610.00186262428452-0.419227151579-0.5632195436940.208436928776-0.0023097114344-0.0877842274386-0.2575880347110.1171892577160.2415807082350.0641439428979-0.002379082441850.221383293529-0.02859448762460.22022967747710.37141.73667.493
295.99907236144-0.761453008259-2.372278306511.998216998970.03615573511662.06371204005-0.236493607354-0.3372462132861.89911657055-0.1664656428710.445967145457-0.779446546608-0.7006622339380.4378976946480.01971734774850.492839016161-0.0561625675449-0.03632186484230.310701838647-0.07381436981830.59303154638418.70457.06970.977
304.302193540463.311065610391.159545047775.015107573471.757421682312.268595861190.147431621940.02880621761710.01465107570960.199099627771-0.0164162690879-0.2196715177420.1308439764710.441446648617-0.09501443254630.132062403066-0.0134324438882-0.01708810933510.200760783371-0.01154667779490.28932917523326.28423.90943.421
312.30682113570.9425287508650.4369807446072.550631770130.7633720057833.201781415310.1159867208140.130951448679-0.053661997558-0.2699363698890.130058588829-0.111576990524-0.2061805304050.316388414548-0.2329524413960.198410070953-0.02813162159110.02720530486920.171782591107-0.02895822641950.17888998017921.29424.80735.289
322.21885312024-0.0147715640402-0.08401029864580.491338499782-0.310018926513.32296051984-0.164259937043-0.4021230310990.47669561562-0.2815092936350.1729385128470.0182452923468-0.7918436360480.38851803746-0.01107626174050.232185767315-0.239505096599-0.02554912791830.259754313733-0.05945974611090.42773707949933.41238.61649.879
331.741097700810.474686395018-2.114276232591.9096573239-0.4074973454884.94679992195-0.09239514032610.0648507758841-0.0300831649710.01615177207530.0518092096576-0.0675726958663-0.191434320846-0.1499915831380.0284944847440.134764299682-0.0296087507307-0.05357508207740.214217766884-0.03234789863620.16351808816719.61238.89170.532
343.789010749810.455857140056-0.5118839264333.94395424157-0.8690532588934.63461611129-0.2023901090.4761831470050.364213495394-0.6067244694850.312915722193-0.263064149559-0.213413548483-0.227137095647-0.05609257329440.322555438284-0.009572159002280.05851567068640.226406652873-0.03043292214680.21048195621721.06839.74261.386
353.933222676810.254014078303-3.265504939291.13012328657-0.5477508792575.67740690108-0.3751428645750.000797344951917-0.1809902126810.06954808863050.0322479092797-0.2188156475940.177133718540.2175249673130.1974601694890.192596353573-0.0417533357166-0.06421747148020.150010743392-0.02774960585710.2301172315826.97333.82668.311
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 0:15 )A0 - 15
2X-RAY DIFFRACTION2( CHAIN A AND RESID 16:26 )A16 - 26
3X-RAY DIFFRACTION3( CHAIN A AND RESID 27:45 )A27 - 45
4X-RAY DIFFRACTION4( CHAIN A AND RESID 46:55 )A46 - 55
5X-RAY DIFFRACTION5( CHAIN A AND RESID 56:76 )A56 - 76
6X-RAY DIFFRACTION6( CHAIN A AND RESID 77:87 )A77 - 87
7X-RAY DIFFRACTION7( CHAIN A AND RESID 88:101 )A88 - 101
8X-RAY DIFFRACTION8( CHAIN A AND RESID 102:122 )A102 - 122
9X-RAY DIFFRACTION9( CHAIN A AND RESID 123:146 )A123 - 146
10X-RAY DIFFRACTION10( CHAIN A AND RESID 147:166 )A147 - 166
11X-RAY DIFFRACTION11( CHAIN A AND RESID 167:178 )A167 - 178
12X-RAY DIFFRACTION12( CHAIN B AND RESID 1:18 )B1 - 18
13X-RAY DIFFRACTION13( CHAIN B AND RESID 19:32 )B19 - 32
14X-RAY DIFFRACTION14( CHAIN B AND RESID 33:64 )B33 - 64
15X-RAY DIFFRACTION15( CHAIN B AND RESID 65:77 )B65 - 77
16X-RAY DIFFRACTION16( CHAIN B AND RESID 78:97 )B78 - 97
17X-RAY DIFFRACTION17( CHAIN B AND RESID 98:162 )B98 - 162
18X-RAY DIFFRACTION18( CHAIN B AND RESID 163:177 )B163 - 177
19X-RAY DIFFRACTION19( CHAIN B AND RESID 178:191 )B178 - 191
20X-RAY DIFFRACTION20( CHAIN C AND RESID -2:2 )C-2 - 2
21X-RAY DIFFRACTION21( CHAIN C AND RESID 3:12 )C3 - 12
22X-RAY DIFFRACTION22( CHAIN D AND RESID 2:37 )D2 - 37
23X-RAY DIFFRACTION23( CHAIN D AND RESID 38:80 )D38 - 80
24X-RAY DIFFRACTION24( CHAIN D AND RESID 81:119 )D81 - 119
25X-RAY DIFFRACTION25( CHAIN D AND RESID 120:137 )D120 - 137
26X-RAY DIFFRACTION26( CHAIN D AND RESID 138:152 )D138 - 152
27X-RAY DIFFRACTION27( CHAIN D AND RESID 153:167 )D153 - 167
28X-RAY DIFFRACTION28( CHAIN D AND RESID 168:192 )D168 - 192
29X-RAY DIFFRACTION29( CHAIN D AND RESID 193:204 )D193 - 204
30X-RAY DIFFRACTION30( CHAIN E AND RESID 3:37 )E3 - 37
31X-RAY DIFFRACTION31( CHAIN E AND RESID 38:118 )E38 - 118
32X-RAY DIFFRACTION32( CHAIN E AND RESID 119:133 )E119 - 133
33X-RAY DIFFRACTION33( CHAIN E AND RESID 134:171 )E134 - 171
34X-RAY DIFFRACTION34( CHAIN E AND RESID 172:197 )E172 - 197
35X-RAY DIFFRACTION35( CHAIN E AND RESID 198:253 )E198 - 253

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