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- PDB-8tub: HLA B7:02 with HPNGYKSLSTL -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 8tub
TitleHLA B7:02 with HPNGYKSLSTL
Components
  • Beta-2-microglobulinBeta-2 microglobulin
  • HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
  • HLA class I histocompatibility antigen, B-7 alpha chain
KeywordsIMMUNE SYSTEM / HLA-B7 HLA B7:02 MHC Influenza B nucleoprotein
Function / homology
Function and homology information


regulation of interleukin-12 production / regulation of dendritic cell differentiation / regulation of T cell anergy / regulation of interleukin-6 production / TAP binding / 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 / secretory granule membrane ...regulation of interleukin-12 production / regulation of dendritic cell differentiation / regulation of T cell anergy / regulation of interleukin-6 production / TAP binding / 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 / secretory granule membrane / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / negative regulation of receptor binding / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / response to molecule of bacterial origin / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / cellular response to iron ion / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / defense response / MHC class I protein complex / multicellular organismal-level iron ion homeostasis / positive regulation of T cell mediated cytotoxicity / peptide antigen assembly with MHC class II protein complex / negative regulation of neurogenesis / MHC class II protein complex / positive regulation of receptor-mediated endocytosis / cellular response to nicotine / recycling endosome membrane / specific granule lumen / phagocytic vesicle membrane / peptide antigen binding / positive regulation of cellular senescence / antigen processing and presentation of exogenous peptide antigen via MHC class II / negative regulation of epithelial cell proliferation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / positive regulation of immune response / Interferon gamma signaling / Modulation by Mtb of host immune system / positive regulation of T cell activation / Interferon alpha/beta signaling / sensory perception of smell / negative regulation of neuron projection development / tertiary granule lumen / DAP12 signaling / positive regulation of protein binding / MHC class II protein complex binding / T cell differentiation in thymus / late endosome membrane / ER-Phagosome pathway / iron ion transport / protein-folding chaperone binding / protein refolding / early endosome membrane / protein homotetramerization / intracellular iron ion homeostasis / amyloid fibril formation / adaptive immune response / learning or memory / immune response / Amyloid fiber formation / lysosomal membrane / external side of plasma membrane / endoplasmic reticulum lumen / Golgi membrane / signaling receptor binding / focal adhesion / innate immune response / Neutrophil degranulation / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / Golgi apparatus / cell surface / endoplasmic reticulum / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / membrane / identical protein binding / plasma membrane / cytosol
Similarity search - Function
MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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. ...MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / HLA class I histocompatibility antigen, B alpha chain / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
Influenza B virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsLittler, D.R. / Rossjohn, J. / Chaurasia, P. / Petersen, J.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia) Australia
CitationJournal: Nat Commun / Year: 2024
Title: CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Authors: Menon, T. / Illing, P.T. / Chaurasia, P. / McQuilten, H.A. / Shepherd, C. / Rowntree, L.C. / Petersen, J. / Littler, D.R. / Khuu, G. / Huang, Z. / Allen, L.F. / Rockman, S. / Crowe, J. / ...Authors: Menon, T. / Illing, P.T. / Chaurasia, P. / McQuilten, H.A. / Shepherd, C. / Rowntree, L.C. / Petersen, J. / Littler, D.R. / Khuu, G. / Huang, Z. / Allen, L.F. / Rockman, S. / Crowe, J. / Flanagan, K.L. / Wakim, L.M. / Nguyen, T.H.O. / Mifsud, N.A. / Rossjohn, J. / Purcell, A.W. / van de Sandt, C.E. / Kedzierska, K.
History
DepositionAug 16, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 13, 2024Provider: repository / Type: Initial release
Revision 1.1May 15, 2024Group: 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 / _citation_author.identifier_ORCID

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Beta-2-microglobulin
F: HLA class I histocompatibility antigen, B-7 alpha chain
Q: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
B: Beta-2-microglobulin
C: HLA class I histocompatibility antigen, B-7 alpha chain
D: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
E: Beta-2-microglobulin
G: HLA class I histocompatibility antigen, B-7 alpha chain
H: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
I: Beta-2-microglobulin
J: HLA class I histocompatibility antigen, B-7 alpha chain
K: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)180,19319
Polymers179,71412
Non-polymers4797
Water10,070559
1
A: Beta-2-microglobulin
F: HLA class I histocompatibility antigen, B-7 alpha chain
Q: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,2217
Polymers44,9293
Non-polymers2924
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4650 Å2
ΔGint-13 kcal/mol
Surface area18850 Å2
MethodPISA
2
B: Beta-2-microglobulin
C: HLA class I histocompatibility antigen, B-7 alpha chain
D: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU


Theoretical massNumber of molelcules
Total (without water)44,9293
Polymers44,9293
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4290 Å2
ΔGint-19 kcal/mol
Surface area19010 Å2
MethodPISA
3
E: Beta-2-microglobulin
G: HLA class I histocompatibility antigen, B-7 alpha chain
H: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1156
Polymers44,9293
Non-polymers1863
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4970 Å2
ΔGint-5 kcal/mol
Surface area18770 Å2
MethodPISA
4
I: Beta-2-microglobulin
J: HLA class I histocompatibility antigen, B-7 alpha chain
K: HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU


Theoretical massNumber of molelcules
Total (without water)44,9293
Polymers44,9293
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4300 Å2
ΔGint-17 kcal/mol
Surface area19340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)49.211, 90.668, 104.563
Angle α, β, γ (deg.)97.540, 93.830, 90.230
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

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Protein , 2 types, 8 molecules ABEIFCGJ

#1: Protein
Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11748.160 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P61769
#2: Protein
HLA class I histocompatibility antigen, B-7 alpha chain / MHC class I antigen B*7


Mass: 31962.016 Da / Num. of mol.: 4 / Fragment: UNP RESIDUES 25-299
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-B, HLAB / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P01889

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Protein/peptide , 1 types, 4 molecules QDHK

#3: Protein/peptide
HIS-PRO-ASN-GLY-TYR-LYS-SER-LEU-SER-THR-LEU


Mass: 1218.360 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Influenza B virus

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Non-polymers , 3 types, 566 molecules

#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H10O3
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 559 / 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: 2.57 Å3/Da / Density % sol: 52.1 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: PEG

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.987 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 1, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.987 Å / Relative weight: 1
ReflectionResolution: 2.4→43.4 Å / Num. obs: 66085 / % possible obs: 94.46 % / Redundancy: 2.8 % / Biso Wilson estimate: 27.27 Å2 / CC1/2: 0.953 / Rpim(I) all: 0.1303 / Net I/σ(I): 6.49
Reflection shellResolution: 2.4→2.49 Å / Num. unique obs: 6521 / CC1/2: 0.706 / Rpim(I) all: 0.3428 / % possible all: 93.1

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.4→43 Å / SU ML: 0.2692 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 24.7902
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2376 3318 5.02 %
Rwork0.1973 62737 -
obs0.1993 66055 94.47 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 39.6 Å2
Refinement stepCycle: LAST / Resolution: 2.4→43 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12619 0 31 559 13209
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.010612999
X-RAY DIFFRACTIONf_angle_d1.186517633
X-RAY DIFFRACTIONf_chiral_restr0.07271780
X-RAY DIFFRACTIONf_plane_restr0.00922337
X-RAY DIFFRACTIONf_dihedral_angle_d16.16244819
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.430.31211250.24542637X-RAY DIFFRACTION93.18
2.43-2.470.28091230.24072586X-RAY DIFFRACTION92.96
2.47-2.510.28681310.24552554X-RAY DIFFRACTION92.55
2.51-2.550.30621320.24412515X-RAY DIFFRACTION92.07
2.55-2.590.28381240.24062547X-RAY DIFFRACTION90.97
2.59-2.640.27821200.22822377X-RAY DIFFRACTION86.61
2.64-2.690.29251340.23272291X-RAY DIFFRACTION83.33
2.69-2.750.29651280.24392752X-RAY DIFFRACTION97.13
2.75-2.810.28131310.23982638X-RAY DIFFRACTION97.26
2.81-2.870.24961590.23282695X-RAY DIFFRACTION97.11
2.87-2.940.27161300.22922720X-RAY DIFFRACTION97.4
2.94-3.020.3061150.21692724X-RAY DIFFRACTION97.23
3.02-3.110.25741500.21872650X-RAY DIFFRACTION97.02
3.11-3.210.26881520.22342698X-RAY DIFFRACTION97.04
3.21-3.330.26751470.21012672X-RAY DIFFRACTION97.07
3.33-3.460.22891430.20512675X-RAY DIFFRACTION96.97
3.46-3.620.22791590.18872646X-RAY DIFFRACTION96.52
3.62-3.810.19331360.17982702X-RAY DIFFRACTION96.2
3.81-4.050.25191530.16922582X-RAY DIFFRACTION95.26
4.05-4.360.18911140.15982660X-RAY DIFFRACTION95.03
4.36-4.80.15611280.15032554X-RAY DIFFRACTION91.91
4.8-5.490.21491420.15842426X-RAY DIFFRACTION88.16
5.49-6.920.21951770.18862733X-RAY DIFFRACTION99.52
6.92-430.19551650.16732703X-RAY DIFFRACTION98.9
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)
19.89794960301-1.15786222802-5.663556699355.479716790511.055164516837.579947582540.0134286020110.1567199811920.44035419218-0.512765502970.238831252139-0.711718874654-0.2058305377520.271411289071-0.319360792690.3313630272840.0120672208595-0.01667500377060.217937839345-0.03659982626880.32256966041617.000493497432.6367424045-2.06593960823
21.0410747677-0.4380800707532.900252963670.184361515782-1.224779888398.09538556705-0.135993326912-1.130483282580.01643251801150.7068952555990.3654232886250.7810093196320.263422088615-1.40419056439-0.1565497089510.551196817-0.02702637097430.09529537695170.6009544709530.03434938513870.2331936413551.3246299430128.762904318715.0762803905
31.87572224528-0.00510432549458-1.23951225311.571407295490.1504241706484.93366036148-0.247598042812-0.1513634653920.227011510420.08016351237040.283160204401-0.3034552329930.355824559878-0.646421952147-0.1103410973980.2218358374260.0797343532315-0.0565448344290.3351599618870.08219818102110.2244795886510.437892149927.51842128563.5348786021
42.050631466540.135520859586-2.76074337760.4414838757320.119952162758.7306883145-0.324361120558-0.31612732697-0.08810321301250.3328584384740.0895449425373-0.2967271473820.6716040884980.6719693698130.08004813593950.2918950651630.0603226073655-0.04996854469520.304721121622-0.0329833054270.3839409022420.112974202123.7933241630.932903022338
51.743862493870.7862822999581.964077506082.451066501331.642797236516.0783234490.166657095198-0.546781039943-0.3711282095180.625245153686-0.0856178726208-0.05476055168481.004788268610.0823939938591-0.2645852503260.2778584866630.0620640177724-0.01119584972910.3592889268660.1190804232420.31839831034614.227680384319.99362780764.11302225574
60.694273435819-0.4127730501940.4247128081312.171318961450.2908415055714.9659511904-0.0931135393605-0.39007128429-0.1934966394530.6135169097280.156033332950.00117047558967-0.131320408865-0.56397943913-0.1908115117790.2674811784630.0457377981122-0.01932777422730.3401839048840.05517425178490.25592567903211.215157423726.96809211154.11316397615
72.03395083926-0.577616409687-2.935442965911.00703542135-0.2183087539746.30269607429-0.280827972155-1.16799521984-0.03111080940680.2162085787520.059505735416-0.3111448633040.1835486916440.3534450904080.008618395794060.3880873625010.109438207232-0.09949600072080.4885656207530.01320341216820.3500969238219.696837842326.86171696598.01640868413
86.25836491056-1.12500793816-3.350902309594.91965912702-2.316901045984.352861806890.254294870141-0.7455656850690.5998638552710.447993575611-0.0746916548718-0.543560939457-0.2049811778391.20764538203-0.1946710752890.2521185272760.0587762410186-0.09907045963450.473638305173-0.09187917551420.40789273321728.07335600529.6587514436-0.877877498776
93.19755789624-1.59248174476-2.436753941151.388624491450.4343525659824.35244491921-0.0523550129721-0.731637777470.32899463380.4570456822360.261688747834-0.268453888634-0.1960649659810.0440139220543-0.2965952311590.4772598506040.0589349521184-0.1513727907820.438749517508-0.05159111662120.29062385127513.92934308434.562949880111.603795317
103.219117684090.377625477526-1.108839635851.52201861844-0.2559132380891.93390538969-0.10555167399-0.111394127196-0.3054944272040.04215069231910.0522766777988-0.1073084567950.1354477087540.0555320131730.0107023745210.1503073111470.007386237519960.0004014646626940.150719870610.004382271542790.2833424110958.7421866078614.9683138905-15.7367176362
110.658367839415-0.0972612939716-0.4516726087911.69938991773-0.03275305546391.71322647392-0.05016991807750.244909986109-0.0599035899797-0.1397506955120.07734764732280.0380720671323-0.152510305237-0.0907463372388-0.0289071064220.149306954018-0.000279159495928-0.01176560983690.1480131542930.01587665324620.2064902470858.2648529428124.9177122159-26.7899999603
122.10794420584-1.087395745410.7536673716761.16816430819-0.3321296282233.43684024363-0.275262212439-0.3106907737080.3053475244730.4421242827250.036429159957-0.0801217720803-0.606413031298-0.05648820333410.2159231024420.3580713538420.0678726477957-0.06088667943770.271702292073-0.002354155505250.277549696432-0.29945293114343.92403408273.41894012417
133.62720755263-0.429275255721-1.265049616853.186343876570.08484012435864.15606828076-0.227804165727-0.6560950281990.358618688431-0.1524427845370.00828002711263-0.05823754856280.32255119351-0.1174776487240.2189801886880.1708128963050.0630858848613-0.02484731355060.231488620627-0.02419685465330.2090964364593.3979208401115.4242295113-25.2999273035
146.138248937744.35718698335-3.265561805644.58718391616-1.579965390422.112581460480.07700852318630.1809872625730.2938161233080.01174292008220.125165759633-0.158125873776-0.1950235289070.447620180654-0.1353632474860.1657536259560.0033511018119-0.05359066149750.2319512959750.03663088440470.22105346622714.191020367915.2634593728-28.982975727
152.382611913330.598571019051-0.966806987924.95520579293-0.8763664265890.4796088021490.247550999136-0.4290076615660.2154151538150.846867976212-0.3307245468570.1456281780160.141295399547-0.161557933310.1746302737450.4920042787670.00496362191337-0.001397080939270.22234875344-0.09521486475560.29655165773932.38917199441.3915799268615.2794879166
162.296098521251.157209033121.393538702633.416976245540.9896383083364.0456750070.00148813435531-0.09876452549150.2153163697060.4692704281680.0571464368418-0.3993702650020.03916070268790.261936965542-0.09959419599720.2735778299630.01375294620550.01872325638180.227152440521-0.08090859119750.32754280400434.90768807760.7731598891896.93260121548
172.208967188340.429421898465-0.2593843834161.877101096050.6471669856963.29683867317-0.163837458511-0.536308027360.4224060170630.71334604378-0.0694856212211-0.247861922976-0.6192580279790.2993875408770.1613740502060.5292685216950.00836466397334-0.06850863924120.287794512894-0.1236957614680.36496812171235.81639812676.4853352778913.5497008234
181.41214008133-0.3076528602880.2094933938643.36753520297-0.5035196625431.365964977880.0526283711929-0.06186120649870.001656443928740.08232726477070.06415896692360.1421700409390.06666728027-0.0566105419825-0.10835257250.160957438461-0.007633627367810.0009772000395290.158565152443-0.03416964379160.1649279149126.8178564618-14.6078437498-7.80348741405
190.771238690721-0.0521805445438-0.6461633768753.036384724523.711389267555.393626501250.0158749904842-0.0724128889640.02380756172870.9506865461270.0487467233040.03506085205160.855827400420.00336694721492-0.03458044170830.4703500016540.01316374835790.01427461165390.308490988410.0619122629180.27569951430627.8495449627-15.824073592717.1134292748
200.795651942226-0.61747981914-0.8350939667891.927653369731.479431040263.290282335130.00995343293995-0.0629066546176-0.08087929144030.659512953815-0.2057655073570.4390944126490.20493311582-0.3976787110410.1919304491790.708665327776-0.04538130567990.1592519742070.46843566874-0.07332635476220.34067064973319.4984186812-3.9313891569726.035576955
215.30028981534-0.575982881583-1.087575419974.14088697306-1.372987998697.487700502960.0689982604209-0.2277391712610.205222429036-0.3982845976170.314135506674-0.223352552308-0.009857751667730.36569409247-0.4570968260280.238703884977-0.0256963127992-0.04067153858070.207229861424-0.009066590664820.21535613845729.0221078475-23.0737018786-9.11312654246
220.289294454194-0.4345922137810.1524433452960.963612560104-0.6091357398440.564318927071-0.1745936453570.1679726293560.389487309881-0.4818881529090.2287444094830.0882768905553-0.03893609598960.0803693615292-0.1068381350850.448431053637-0.1817992996480.1223990547840.02664906668-0.02962771736980.37727415175726.3809467163-15.9141731882-17.5174605463
233.05361317241-0.409167599888-1.537194542874.226651432090.5194232400041.74861010506-0.1885668706310.356995456324-0.200122120064-0.01202157224730.450220075288-0.116141034770.00673590878108-0.123512743588-0.2440507124870.313168632289-0.09081814794750.1074983719540.289439765261-0.03283723196280.19089870751635.123092187246.1318655901-49.8647693073
241.288238731030.1548820919280.6255582765211.379623198171.100564777413.57233070564-0.08303338532840.4013709066140.174882034799-0.3507601175770.106517214703-0.106236927733-0.4975076998550.1742441135610.00517967124340.211401913197-0.05587458142210.05362075465840.2460282572130.01804917060320.25893400860738.142216789152.9552057246-46.3532261311
253.071015623190.860437549122.037123421493.08414532002-0.3711338426312.59915582011-0.1886573965620.7096537360860.208014984982-0.7315723455340.147017603319-0.2784922317520.204082592120.4981100175810.05356400189440.297873531677-0.0730174321720.1701765826520.419689744093-0.07687231451340.26866086648442.352621014746.4822282831-55.1511589187
262.73455731507-0.2789434769290.753285268641.65252129202-0.1973329014571.59657822219-0.06458195870760.1449543779770.298337905129-0.04028888396960.0305574450413-0.0287957951932-0.07216802354540.02771531359850.01502121104860.128659515884-0.01350964905670.02665670279720.136792769335-0.002363454796260.18088498503333.167610788562.0655951655-29.1651890507
271.47380568838-0.2797687683260.1363371222571.44505964349-0.1325287229441.38254046250.0173389169207-0.0936646833453-0.06222345684610.1298726065070.008960095303070.02928619676570.0562495152929-0.0362228028639-0.02614386268060.14218883324-0.007577080193710.00121708785290.134543760245-0.002475189552810.17648766009632.766634878452.1346340112-18.0680208585
281.86480976941-0.162588046782-0.3151173527443.133608867771.559095364712.85647078158-0.1269912406510.225867299478-0.182210526016-0.1373612980980.0635454041276-0.08890688578450.3701187933240.04716292638470.06015637042450.24210944468-0.06529287693730.04838053660420.224311295079-0.01211760088840.19370316628124.395340645232.784951534-48.4240164487
292.473917513541.357768508331.731509154741.471967076240.3440197015684.50136009644-0.05723480721240.627356615839-0.2475971461460.2545053557840.07425591973630.0148508128809-0.01859262767980.2960362371280.09780747264680.209371442459-0.01944684395290.02932350375180.291627712786-0.0413714817220.22643020460727.827397862661.5340110634-19.5848913962
302.91666571349-4.68574067828-0.6060879832367.595054934611.179169912111.28546094710.0360136740576-0.6400185410050.382997660733-0.03688741087250.391341480653-0.5867287089270.1450642314150.0680992231627-0.2789892113720.215003283405-0.05202958340150.03257910425020.257522998017-0.02356709805630.29096234785738.812845605261.6857446818-15.8970482839
317.423380311740.14780243384-4.759155756535.1154810146-1.269280107939.409304440290.254212499023-0.03158680546350.685748724236-0.6439005553740.05775764959570.3193724650070.332459800073-0.690762753471-0.2009692619720.49161162660.000895163433509-0.07225148944170.388745701172-0.09531628707870.433365669462.38322237217-17.758276565-52.5950112447
322.90206896191-0.576982343172-0.7848985971711.51516472622-0.6473857663450.6713928938230.1488273159661.16485940595-0.297155693489-0.741388867917-0.3362743658810.2654415114380.260693714570.8138987532830.05951419342460.957783520720.165656002991-0.004243846383210.618957787779-0.02722089397330.33999942780915.9367588426-12.0304538128-71.2776506983
333.05679757298-0.743395924582-0.7547906179763.873461039120.6574439507075.627611775050.0758235376550.442117303703-0.22536181618-0.883638591070.216706111015-0.5466677514870.3224992794130.0691011628893-0.2079282508970.55710770778-0.03350339084550.03286878574860.36502387202-0.1374655195890.4621680367310.7088053022-16.4553517517-53.0882892441
343.251166111641.289846872210.264391116364.169654733111.1336908416.921624302470.2985358268250.211045163225-0.915472087973-0.406028079965-0.395342077249-0.8089671068791.23521864591.141491261080.04681123052970.7462872939690.06356369146930.06814585507810.627457184687-0.183400356910.602041606421.1104921161-24.763410723-57.1457378241
353.29538996397-0.0592824007667-0.8583238115263.123300323751.297967453823.976608282330.3686434685250.149246673403-0.152133283629-0.735826075846-0.0665430732904-0.4760437906760.3263583999330.246828449399-0.08157009399340.5586072053390.0337620326117-0.04044676958250.39671851466-0.07872270209560.32894529144611.9971500078-13.2056947467-54.8840510277
362.690387833910.1065090414950.5707018513833.062565197320.6889171410172.55993076041-0.06910047379270.386261383435-0.337595608032-0.7134483374790.11395373226-0.3095697360730.6846783190970.18100165791-0.1349182740940.6266671907640.1508418825930.02851126515260.450042660321-0.01461617579390.57897893647712.6708328474-23.2141369887-55.1545321283
375.878053461540.559006249306-3.565433425945.94572253284-0.5265617963132.48105569178-0.09463800849310.784343871895-0.31168365761-1.209063097310.1261693347510.4639178221.377983084790.101388618751-0.01167316251490.665459892918-0.056826240827-0.1073012636980.463518314589-0.1717320722960.549237394916.83799135037-24.2424541465-56.3886525926
381.755865853390.890301674433-0.3621420617273.91495212101-1.100574883132.05690245110.02329526171480.2253466173450.161341923323-0.0936117616280.1597049383180.302407967526-0.156394805169-0.107400365523-0.1557720542160.193807984470.00478420481304-0.004934310998420.254784477135-5.30518085274E-50.2660618199062.185016170420.785451940214-37.1153698752
391.082529604750.3897478924551.159254703563.380896195651.045893171661.366554191750.06859568221130.20691618868-0.00982074055072-1.1558950838-0.0902317215290.0114345385204-0.6036828535730.1107386442740.02364479772270.7192974047190.071146700299-0.01487700852980.411439072440.1801100638130.3611148888165.5651123599412.4453437676-54.4605821182
402.06274290806-0.8628318072450.2519700565121.711355001050.4179592473542.471848885140.2519563474930.212650334252-0.489590456569-0.714115863884-0.1258426396310.4733563458060.232881543582-0.220126966632-0.1394280459940.9932793534460.05267547414-0.2670260230250.590377991661-0.03608082783580.52217117021-3.61359569-12.1842634841-68.6405186747
412.568163422271.418685846851.990067922514.459665252583.987220945865.122363218110.1526603615330.106433105661-0.369709337051-1.19354924462-0.1977404884920.999685162160.146685164242-0.2571521347130.07952848413021.156666017940.136201549658-0.3396587011350.689389845438-0.0707322444790.687079016689-7.69558224723-9.81855778918-74.6301903892
423.779328732511.550801106741.241476529680.9366171304921.064839633641.49045906780.449075788840.288468762299-0.332779343890.8507065999630.2476817459170.369039615482-0.524399969366-0.134889170711-0.6077856625140.3955445372160.07573699261680.1215592936030.1892017057520.03285281354260.427288401213.127706941556.24683331315-32.2512773613
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 11 )AA1 - 111 - 11
22chain 'A' and (resid 12 through 19 )AA12 - 1912 - 19
33chain 'A' and (resid 20 through 30 )AA20 - 3020 - 30
44chain 'A' and (resid 31 through 41 )AA31 - 4131 - 41
55chain 'A' and (resid 42 through 56 )AA42 - 5642 - 56
66chain 'A' and (resid 57 through 77 )AA57 - 7757 - 77
77chain 'A' and (resid 78 through 83 )AA78 - 8378 - 83
88chain 'A' and (resid 84 through 90 )AA84 - 9084 - 90
99chain 'A' and (resid 91 through 99 )AA91 - 9991 - 99
1010chain 'F' and (resid 1 through 84 )FC1 - 841 - 84
1111chain 'F' and (resid 85 through 174 )FC85 - 17485 - 174
1212chain 'F' and (resid 175 through 275 )FC175 - 275175 - 275
1313chain 'Q' and (resid 1 through 6 )QF1 - 61 - 6
1414chain 'Q' and (resid 7 through 11 )QF7 - 117 - 11
1515chain 'B' and (resid 1 through 19 )BH1 - 191 - 19
1616chain 'B' and (resid 20 through 61 )BH20 - 6120 - 61
1717chain 'B' and (resid 62 through 99 )BH62 - 9962 - 99
1818chain 'C' and (resid 1 through 162 )CI1 - 1621 - 162
1919chain 'C' and (resid 163 through 197 )CI163 - 197163 - 197
2020chain 'C' and (resid 198 through 275 )CI198 - 275198 - 275
2121chain 'D' and (resid 1 through 6 )DJ1 - 61 - 6
2222chain 'D' and (resid 7 through 11 )DJ7 - 117 - 11
2323chain 'E' and (resid 1 through 19 )EK1 - 191 - 19
2424chain 'E' and (resid 20 through 71 )EK20 - 7120 - 71
2525chain 'E' and (resid 72 through 99 )EK72 - 9972 - 99
2626chain 'G' and (resid 1 through 84 )GN1 - 841 - 84
2727chain 'G' and (resid 85 through 174 )GN85 - 17485 - 174
2828chain 'G' and (resid 175 through 275 )GN175 - 275175 - 275
2929chain 'H' and (resid 1 through 6 )HO1 - 61 - 6
3030chain 'H' and (resid 7 through 11 )HO7 - 117 - 11
3131chain 'I' and (resid 1 through 11 )IQ1 - 111 - 11
3232chain 'I' and (resid 12 through 19 )IQ12 - 1912 - 19
3333chain 'I' and (resid 20 through 41 )IQ20 - 4120 - 41
3434chain 'I' and (resid 42 through 46 )IQ42 - 4642 - 46
3535chain 'I' and (resid 47 through 77 )IQ47 - 7747 - 77
3636chain 'I' and (resid 78 through 83 )IQ78 - 8378 - 83
3737chain 'I' and (resid 84 through 99 )IQ84 - 9984 - 99
3838chain 'J' and (resid 1 through 162 )JR1 - 1621 - 162
3939chain 'J' and (resid 163 through 185 )JR163 - 185163 - 185
4040chain 'J' and (resid 186 through 242 )JR186 - 242186 - 242
4141chain 'J' and (resid 243 through 275 )JR243 - 275243 - 275
4242chain 'K' and (resid 1 through 11 )KS1 - 111 - 11

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