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- PDB-8vcx: Human TCR A2.13 in complex with DQ8-InsCpep -

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Basic information

Entry
Database: PDB / ID: 8vcx
TitleHuman TCR A2.13 in complex with DQ8-InsCpep
Components
  • (MHC class II HLA-DQ- ...) x 2
  • (T-CELL-RECEPTOR, ...) x 2
  • Proinsulin C-peptide (InsC8-22)
KeywordsIMMUNE SYSTEM / Immune receptor complex
Function / homology
Function and homology information


antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / negative regulation of glycogen catabolic process / positive regulation of nitric oxide mediated signal transduction / negative regulation of fatty acid metabolic process / negative regulation of feeding behavior / Signaling by Insulin receptor / IRS activation / regulation of protein secretion / Insulin processing / positive regulation of peptide hormone secretion ...antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / negative regulation of glycogen catabolic process / positive regulation of nitric oxide mediated signal transduction / negative regulation of fatty acid metabolic process / negative regulation of feeding behavior / Signaling by Insulin receptor / IRS activation / regulation of protein secretion / Insulin processing / positive regulation of peptide hormone secretion / positive regulation of respiratory burst / negative regulation of acute inflammatory response / Regulation of gene expression in beta cells / alpha-beta T cell activation / positive regulation of dendritic spine maintenance / Synthesis, secretion, and deacylation of Ghrelin / negative regulation of respiratory burst involved in inflammatory response / activation of protein kinase B activity / negative regulation of protein secretion / negative regulation of gluconeogenesis / positive regulation of insulin receptor signaling pathway / positive regulation of glycogen biosynthetic process / fatty acid homeostasis / Signal attenuation / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / negative regulation of lipid catabolic process / positive regulation of lipid biosynthetic process / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / regulation of protein localization to plasma membrane / nitric oxide-cGMP-mediated signaling / transport vesicle / COPI-mediated anterograde transport / positive regulation of nitric-oxide synthase activity / Insulin receptor recycling / negative regulation of reactive oxygen species biosynthetic process / insulin-like growth factor receptor binding / positive regulation of brown fat cell differentiation / NPAS4 regulates expression of target genes / neuron projection maintenance / endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of mitotic nuclear division / Insulin receptor signalling cascade / positive regulation of glycolytic process / positive regulation of cytokine production / endosome lumen / positive regulation of long-term synaptic potentiation / acute-phase response / positive regulation of D-glucose import / positive regulation of protein secretion / insulin receptor binding / positive regulation of cell differentiation / Regulation of insulin secretion / MHC class II protein complex / wound healing / positive regulation of neuron projection development / hormone activity / negative regulation of protein catabolic process / regulation of synaptic plasticity / positive regulation of protein localization to nucleus / Golgi lumen / vasodilation / cognition / glucose metabolic process / insulin receptor signaling pathway / cell-cell signaling / glucose homeostasis / regulation of protein localization / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / positive regulation of cell growth / protease binding / secretory granule lumen / adaptive immune response / positive regulation of canonical NF-kappaB signal transduction / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / endosome membrane / positive regulation of MAPK cascade / positive regulation of cell migration / G protein-coupled receptor signaling pathway / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / negative regulation of gene expression / lysosomal membrane / positive regulation of cell population proliferation / positive regulation of gene expression / regulation of DNA-templated transcription / extracellular space / extracellular region / identical protein binding
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 / Insulin / Insulin family / Insulin-like ...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 / Insulin / Insulin family / Insulin-like / Insulin/IGF/Relaxin family / Insulin / insulin-like growth factor / relaxin family. / Insulin, conserved site / Insulin family signature. / Insulin-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
Similarity search - Domain/homology
PHOSPHATE ION / MHC class II HLA-DQ-beta-1 / Insulin / MHC class II HLA-DQ-alpha chain
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.59 Å
AuthorsTran, T.M. / Lim, J.J. / Loh, T.J. / Mannering, I.S. / Rossjohn, J. / Reid, H.H.
Funding support Australia, 2items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)APP1123586 Australia
National Health and Medical Research Council (NHMRC, Australia)2008981 Australia
CitationJournal: J.Biol.Chem. / Year: 2024
Title: A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
Authors: Tran, M.T. / Lim, J.J. / Loh, T.J. / Mannering, S.I. / Rossjohn, J. / Reid, H.H.
History
DepositionDec 14, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 7, 2024Provider: repository / Type: Initial release
Revision 1.1Aug 14, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Sep 4, 2024Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 1.3Oct 16, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: T-CELL-RECEPTOR, TCR A2.13 alpha
E: T-CELL-RECEPTOR, A2.13-beta chain
A: MHC class II HLA-DQ-alpha chain
B: MHC class II HLA-DQ-beta-1
C: Proinsulin C-peptide (InsC8-22)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,82914
Polymers94,8545
Non-polymers1,9759
Water1,40578
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)64.651, 64.818, 255.896
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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T-CELL-RECEPTOR, ... , 2 types, 2 molecules DE

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


Mass: 22633.219 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: human islet-infiltrating CD4+ T cell clone isolated from the residual pancreatic islets from of a deceased organ donor who had T1D
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)
#2: Protein T-CELL-RECEPTOR, A2.13-beta chain


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: 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)

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

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


Mass: 21150.596 Da / Num. of mol.: 1 / Mutation: C75I
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-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
#4: 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
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 (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: O19707

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Protein/peptide , 1 types, 1 molecules C

#5: Protein/peptide Proinsulin C-peptide (InsC8-22)


Mass: 1388.461 Da / Num. of mol.: 1 / Mutation: G9E, L11C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Tissue: Islets of Langerhans / Cell: Beta cells / Gene: INS / 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 / References: UniProt: P01308

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Sugars , 2 types, 3 molecules

#6: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#7: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE

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Non-polymers , 3 types, 84 molecules

#8: Chemical ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4
#9: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C3H8O3
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 78 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
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: 2.83 Å3/Da / Density % sol: 56.5 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: 0.2 M Potassium sodium tartrate, 24% PEG 3350

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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: 2.59→45.53 Å / Num. obs: 34359 / % possible obs: 99.3 % / Redundancy: 13.6 % / Biso Wilson estimate: 63.13 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.079 / Rpim(I) all: 0.022 / Rrim(I) all: 0.082 / Net I/σ(I): 19.5
Reflection shellResolution: 2.59→2.7 Å / Rmerge(I) obs: 0.778 / Mean I/σ(I) obs: 3.6 / Num. unique obs: 4028 / CC1/2: 0.923 / Rpim(I) all: 0.215

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Processing

Software
NameVersionClassification
PHENIX1.19_4092refinement
autoXDSdata reduction
XDS5.0.32data scaling
Cootmodel building
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.59→45.53 Å / SU ML: 0.3092 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.1979
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2384 1741 5.08 %
Rwork0.2026 32545 -
obs0.2045 34286 99.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 71.02 Å2
Refinement stepCycle: LAST / Resolution: 2.59→45.53 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6346 0 129 78 6553
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00216633
X-RAY DIFFRACTIONf_angle_d0.47419043
X-RAY DIFFRACTIONf_chiral_restr0.04221019
X-RAY DIFFRACTIONf_plane_restr0.00321168
X-RAY DIFFRACTIONf_dihedral_angle_d13.01392337
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.59-2.660.38691310.31582556X-RAY DIFFRACTION96.55
2.66-2.750.29961100.27972681X-RAY DIFFRACTION98.48
2.75-2.850.32181570.2672678X-RAY DIFFRACTION98.81
2.85-2.960.31551800.27742642X-RAY DIFFRACTION98.95
2.96-3.090.41331410.27742674X-RAY DIFFRACTION99.08
3.09-3.260.28981330.24552696X-RAY DIFFRACTION99.37
3.26-3.460.25161260.22832709X-RAY DIFFRACTION99.47
3.46-3.730.26531370.22332714X-RAY DIFFRACTION99.37
3.73-4.10.25351490.19142725X-RAY DIFFRACTION99.41
4.1-4.70.19031710.15612739X-RAY DIFFRACTION99.69
4.7-5.910.18581430.15722795X-RAY DIFFRACTION99.73
5.92-45.530.1981630.18872936X-RAY DIFFRACTION99.81
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)
13.21594337746-1.23640437649-1.131490851274.440500857291.482603680720.825974739461-0.1618511978310.934877860942-0.424040047147-0.119730510285-0.3404221597920.5982060353360.573303059199-0.4072888803610.5441975575650.706851446454-0.258273863102-0.01065263932670.510005607223-0.1022786627310.73885381320964.9493998711196.33676929915.7974040047
23.2791985372-0.533873814644-0.4539323654663.175856707681.514427348199.008878731190.0688107968622-0.0414230600309-0.2354052067750.350930950456-0.196524139110.3812701225910.468749477416-0.760865152410.1405977154680.357680048435-0.09819418708150.003202485574530.3342555388950.01645851559610.52808586188967.6535572808205.25514319223.1299960215
33.583038195250.6346961684460.4672455327371.881667837211.814020736347.511107389440.137157309896-0.0389762055451-0.3922690282610.161703574632-0.2513877531290.2858548346410.785528730414-0.4532656590460.1224396204220.479888293023-0.0834787583311-0.01658067006450.3476769457820.03142780160840.5245627841968.8580660638202.37248167522.023908799
41.78036242932.96599486181.73562330626.305489652474.070333684713.45711991159-0.1730155575451.65577816671-0.490394172682-0.09640828258420.466790121132-0.127545847618-0.2094381415450.538979498143-0.3806957873670.474489994825-0.184309321067-0.04865600012681.21047719046-0.1371577536580.74083451904863.7213848024196.306216052-1.57287461577
54.72555511972-1.198088083760.09280068604785.7128778532-0.09108802499666.56674194303-0.1570384301360.342817192785-0.216926146566-0.2071151405290.4263921173110.02542278835871.35754042025-0.267544233236-0.2115057366480.725799480554-0.198173629738-0.09851216455290.648767125504-0.1555787300630.6287959948774.4708431268192.636923366-9.58745896938
64.54096782476-3.6291504108-0.3053155524193.520768409310.1829532557310.07230278394321.023755981470.911155948682-1.00530529828-0.276830874627-0.5426707041310.1622220861470.893792734246-0.386143088887-0.321449104141.2082112184-0.0849949051117-0.2776061770180.669111103683-0.3127482324560.88101334695375.8841907805188.000139017-10.7404725044
75.702869040750.691907385906-1.237674260037.592670660350.2044370294218.56157719919-0.2410168507760.302233400402-1.54371306135-0.196691573572-0.152731758281-0.407142823419-0.220571564733-0.8524892616550.2924804507831.18426697692-0.52582578679-0.1079929052381.14168877454-0.03541128731540.8417466456866.3936054596184.745894493-13.3690600423
84.26116330988-3.76018494132-3.1282119117.134075030423.115595687025.925430922250.4238512211030.08888788900190.0280370943886-0.805823864242-0.175554035131-0.522910053378-0.1007214596320.464872450687-0.3330301858210.3932103182450.1144283660530.04440257662150.494476982274-0.03478195340740.50943733983693.9672718636207.18779090917.7218991369
93.185820325060.0479483347315-0.2753185630153.699898274071.680092749155.392085104860.0268429328156-0.363387363505-0.3709252795590.2926013401970.200064016422-0.1447700433150.6687477698690.719928596463-0.2192890548220.3572710186840.087162523124-0.0006369549172830.4162854805090.01189622633770.41726420581489.9347328178205.15265181226.4350031063
100.261275300902-0.2324776116190.1885629790241.61690764461-2.022352590062.57187436974-0.08063716422250.573728472616-1.094603840950.08127981877390.0427923491236-0.4123678766391.78042294420.671370706980.1182938881010.5956116290390.2333533385710.003855918380530.518344820766-0.2189264991610.72194631080498.3684909447193.8625741837.6996664103
115.75922251333-1.470853268053.094485925431.82438808608-1.124056532754.414634212060.1427587421490.462097371362-0.0303442972891-0.0109876323767-0.0453783164033-0.04112009728150.5826332581450.0585424971774-0.1053385392150.4373073586460.01331092708430.02741252859680.50217208928-0.1573581920710.53399589146187.0756517902199.951026825-7.54919800445
129.450394815843.89198198299-2.665730222622.52534860998-0.5518367281566.383301846910.101539685518-0.0772427341321-0.2259855255140.1612210483280.0974942522320.0942326784156-0.1980273171540.1413253369-0.2254318634470.436039397717-0.04041566711850.07890772398380.3472040731780.05766904564990.39135158969377.6666363505217.87197034452.3337226912
137.47868054909-0.224266368055-4.864439006795.859924969210.8382091743098.78606711189-0.15166078817-0.465408881178-0.3997204259690.3802257244860.124472979443-0.004572045442690.5412869451030.7047542504810.0535156918040.5500867798720.05502011131450.02908813554010.3759101360740.06895178393170.48988615072877.7088723138210.25748688954.3784272725
143.834001934161.33662590292-4.256908962017.49986622138-0.7489974708574.77220655997-0.203187019496-0.299652362161-0.777355472631-0.2943332419670.0820597845252-0.1490756755031.117721176340.3759697270470.28131663130.6850158460050.04222397489370.05550052333410.5306064771190.0791510260210.55340154166877.5093109598200.86444478152.405059025
152.170932954270.259471877938-0.9308149428021.47256101939-0.9032145166357.476769874170.118670159568-0.3428570043010.07689569546580.3301152354830.0877563136387-0.215550502456-0.3035637566390.785182288327-0.1771995320170.4172150648450.002951254696990.005721764149960.476883068188-0.06494476366070.4961210221185.235921891217.69285928760.082942973
163.33198793247-0.441116492229-0.1556410102355.90302528324-3.424182040738.40195621889-0.0418919709686-0.753885690782-0.3383102012930.871573408822-0.027552527667-0.4628687740290.09293807195590.6606027291750.1026813039450.558327403345-0.0071337146571-0.01385063689210.7204241210070.01429522606340.49007028157285.4627743429211.80986587871.0506848368
173.903781544822.583830079140.3019261472315.549084845820.7152957152855.892691577890.493265471377-0.881639368915-0.1624070986441.03834026378-0.673589536408-0.253860979715-0.5295021222431.582529855220.05976652877070.621564281413-0.0821297643072-0.08078165468291.01047439137-0.03917162841420.56350404016489.7536021498219.88055261174.670599243
180.7732981176040.232531753195-1.325337931282.17306883386-0.6358519560864.856718769220.1603521687550.08566050206570.044658220637-0.01094582348940.07519596213990.0502652118164-0.213831500718-0.264867043191-0.2634862052230.3590764012360.02942309064960.06184168040440.343640713529-0.0002969857924160.45450088716171.3657943582220.23991780245.8121985596
193.562592956470.304056737007-1.082981973551.788641130840.1354466127078.538562352010.0355139849632-0.3229658130950.3554436969890.572858543967-0.03517654568950.242775754324-0.4441595057070.06626236390960.003782897615510.9004283578680.01189231653220.1837765754780.3323622981260.06682636387720.62588191838461.8325873303212.69766694483.5342138967
207.614243458465.060463998730.924567455474.93036763003-2.871065268667.76787611239-0.3528971687380.570263420514-0.141490893703-0.588224276440.156553460762-0.660431722690.1171940076040.3134198504870.2795525657810.4194596499640.1353934338040.1404578945180.58933274271-0.08219749678550.59828292089778.3472343318214.60882543939.2638655094
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'D' and (resid 2 through 18 )DA2 - 181 - 16
22chain 'D' and (resid 19 through 80 )DA19 - 8017 - 63
33chain 'D' and (resid 81 through 120 )DA81 - 12064 - 103
44chain 'D' and (resid 121 through 133 )DA121 - 133104 - 116
55chain 'D' and (resid 134 through 182 )DA134 - 182117 - 163
66chain 'D' and (resid 183 through 204 )DA183 - 204164 - 184
77chain 'D' and (resid 205 through 215 )DA205 - 215185 - 195
88chain 'E' and (resid 3 through 37 )EB3 - 371 - 28
99chain 'E' and (resid 38 through 118 )EB38 - 11829 - 103
1010chain 'E' and (resid 119 through 133 )EB119 - 133104 - 118
1111chain 'E' and (resid 134 through 253 )EB134 - 253119 - 238
1212chain 'A' and (resid 1 through 18 )AD1 - 181 - 19
1313chain 'A' and (resid 19 through 35 )AD19 - 3520 - 36
1414chain 'A' and (resid 36 through 55 )AD36 - 5537 - 56
1515chain 'A' and (resid 56 through 123 )AD56 - 12357 - 124
1616chain 'A' and (resid 124 through 166 )AD124 - 166125 - 167
1717chain 'A' and (resid 167 through 180 )AD167 - 180168 - 181
1818chain 'B' and (resid 3 through 97 )BJ3 - 972 - 96
1919chain 'B' and (resid 98 through 192 )BJ98 - 19297 - 191
2020chain 'C' and (resid -2 through 12 )CN-2 - 121 - 15

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