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- PDB-7lfi: MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTID... -

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Basic information

Entry
Database: PDB / ID: 7lfi
TitleMODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE REFINED AT 1.70 ANGSTROMS RESOLUTION
Components
  • Beta-2-microglobulin
  • Heptapeptide from NADH-ubiquinone oxidoreductase chain 1
  • Histocompatibility 2, M region locus 3
KeywordsIMMUNE SYSTEM / HISTOCOMPATIBILITY ANTIGEN/PEPTIDE / HISTOCOMPATIBILITY ANTIGEN-PEPTIDE COMPLEX
Function / homology
Function and homology information


alpha-beta T cell activation involved in immune response / antigen processing and presentation of exogenous peptide antigen via MHC class Ib / MHC class Ib protein complex / Complex I biogenesis / Respiratory electron transport / positive regulation of natural killer cell mediated cytotoxicity / response to hydroperoxide / Endosomal/Vacuolar pathway / DAP12 interactions / Antigen Presentation: Folding, assembly and peptide loading of class I MHC ...alpha-beta T cell activation involved in immune response / antigen processing and presentation of exogenous peptide antigen via MHC class Ib / MHC class Ib protein complex / Complex I biogenesis / Respiratory electron transport / positive regulation of natural killer cell mediated cytotoxicity / response to hydroperoxide / Endosomal/Vacuolar pathway / DAP12 interactions / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / ER-Phagosome pathway / DAP12 signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / NADH:ubiquinone reductase (H+-translocating) / : / mitochondrial electron transport, NADH to ubiquinone / proton motive force-driven mitochondrial ATP synthesis / mitochondrial respiratory chain complex I assembly / NADH dehydrogenase (ubiquinone) activity / cellular defense response / nitric oxide biosynthetic process / aerobic respiration / Neutrophil degranulation / 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 / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / negative regulation of forebrain neuron differentiation / regulation of erythrocyte differentiation / peptide antigen assembly with MHC class I protein complex / regulation of iron ion transport / response to molecule of bacterial origin / MHC class I peptide loading complex / HFE-transferrin receptor complex / response to organic cyclic compound / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / MHC class I protein complex / multicellular organismal-level iron ion homeostasis / negative regulation of neurogenesis / peptide antigen assembly with MHC class II protein complex / positive regulation of receptor-mediated endocytosis / MHC class II protein complex / cellular response to nicotine / positive regulation of T cell mediated cytotoxicity / 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 / positive regulation of immune response / positive regulation of nitric oxide biosynthetic process / positive regulation of type II interferon production / sensory perception of smell / positive regulation of T cell activation / negative regulation of neuron projection development / MHC class II protein complex binding / late endosome membrane / iron ion transport / T cell differentiation in thymus / protein refolding / protein homotetramerization / intracellular iron ion homeostasis / amyloid fibril formation / mitochondrial inner membrane / learning or memory / response to hypoxia / defense response to bacterium / response to xenobiotic stimulus / immune response / lysosomal membrane / external side of plasma membrane / signaling receptor binding / neuronal cell body / dendrite / structural molecule activity / Golgi apparatus / protein homodimerization activity / mitochondrion / extracellular space / cytosol
Similarity search - Function
NADH:ubiquinone oxidoreductase, subunit 1, conserved site / Respiratory-chain NADH dehydrogenase subunit 1 signature 1. / Respiratory-chain NADH dehydrogenase subunit 1 signature 2. / NADH:ubiquinone oxidoreductase, subunit 1/F420H2 oxidoreductase subunit H / NADH dehydrogenase / 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 ...NADH:ubiquinone oxidoreductase, subunit 1, conserved site / Respiratory-chain NADH dehydrogenase subunit 1 signature 1. / Respiratory-chain NADH dehydrogenase subunit 1 signature 2. / NADH:ubiquinone oxidoreductase, subunit 1/F420H2 oxidoreductase subunit H / NADH dehydrogenase / 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
Beta-2-microglobulin / NADH-ubiquinone oxidoreductase chain 1 / Histocompatibility 2, M region locus 3
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 1.7 Å
AuthorsTomchick, D.R. / Deisenhofer, J. / Shen, S.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01-GM079383 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)P30-DA035778 United States
Citation
Journal: J.Biomol.Struct.Dyn. / Year: 2022
Title: Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
Authors: Strand, A. / Shen, S.T. / Tomchick, D.R. / Wang, J. / Wang, C.R. / Deisenhofer, J.
#1: Journal: Cell / Year: 1995
Title: Nonclassical binding of formylated peptide in crystal structure of the MHC Class IB molecule H2-M3.
Authors: Wang, C.R. / Castano, A.R. / Peterson, P.A. / Slaughter, C. / Lindahl, K.F. / Deisenhofer, J.
#2: Journal: Cell / Year: 1991
Title: H2-M3 encodes the MHC Class I molecule presenting the maternally transmitted antigen of the mouse.
Authors: Wang, C.R. / Loveland, B.E. / Lindahl, K.F.
History
DepositionJan 17, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 14, 2021Provider: repository / Type: Initial release
Revision 1.1Dec 28, 2022Group: Database references / Category: citation / citation_author / database_2
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year / _citation_author.identifier_ORCID / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Histocompatibility 2, M region locus 3
B: Beta-2-microglobulin
C: Heptapeptide from NADH-ubiquinone oxidoreductase chain 1
D: Histocompatibility 2, M region locus 3
E: Beta-2-microglobulin
F: Heptapeptide from NADH-ubiquinone oxidoreductase chain 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,8279
Polymers90,5606
Non-polymers2673
Water7,008389
1
A: Histocompatibility 2, M region locus 3
B: Beta-2-microglobulin
C: Heptapeptide from NADH-ubiquinone oxidoreductase chain 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,5245
Polymers45,2803
Non-polymers2442
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4490 Å2
ΔGint-36 kcal/mol
Surface area19650 Å2
MethodPISA
2
D: Histocompatibility 2, M region locus 3
E: Beta-2-microglobulin
F: Heptapeptide from NADH-ubiquinone oxidoreductase chain 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,3034
Polymers45,2803
Non-polymers231
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4330 Å2
ΔGint-35 kcal/mol
Surface area19700 Å2
MethodPISA
Unit cell
Length a, b, c (Å)63.567, 68.646, 54.973
Angle α, β, γ (deg.)101.988, 95.102, 113.497
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, 4 molecules ADBE

#1: Protein Histocompatibility 2, M region locus 3 / MHC class I antigen H-2M3


Mass: 32650.650 Da / Num. of mol.: 2 / Mutation: G299 deletion
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: H2-M3, H-2M3 / Plasmid: pRMHa-3 / Production host: Drosophila melanogaster (fruit fly) / References: UniProt: Q31093
#2: Protein Beta-2-microglobulin


Mass: 11704.359 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: B2m / Plasmid: pRMHa-3 / Production host: Drosophila melanogaster (fruit fly) / References: UniProt: P01887

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

#3: Protein/peptide Heptapeptide from NADH-ubiquinone oxidoreductase chain 1 / NADH dehydrogenase subunit 1


Mass: 925.145 Da / Num. of mol.: 2 / Fragment: First seven amino-terminal residues / Source method: obtained synthetically / Details: The N-terminal methionine is N-Formylmethionine / Source: (synth.) Mus musculus (house mouse)
References: UniProt: P03888, NADH:ubiquinone reductase (H+-translocating)
#4: 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.: 1
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6 / Feature type: SUBJECT OF INVESTIGATION
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 , 2 types, 391 molecules

#5: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 389 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.33 Å3/Da / Density % sol: 47.29 %
Crystal growTemperature: 283 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.1 M Hepes, 20% (w/v) PEG 4000, 30% (v/v) ethylene glycol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.908 Å
DetectorType: ADSC QUANTUM 1 / Detector: CCD / Date: Jan 4, 1999 / Details: monochromator
RadiationMonochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.908 Å / Relative weight: 1
ReflectionResolution: 1.7→33.53 Å / Num. obs: 85212 / % possible obs: 94.6 % / Redundancy: 3.6 % / Biso Wilson estimate: 23.13 Å2 / Rmerge(I) obs: 0.119 / Net I/σ(I): 11.2
Reflection shellResolution: 1.7→1.72 Å / Rmerge(I) obs: 0.571 / Mean I/σ(I) obs: 2.3 / Num. unique obs: 1725 / % possible all: 59

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Processing

Software
NameVersionClassification
PHENIX1.18.2-3874refinement
PDB_EXTRACT3.27data extraction
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: 1MHC

1mhc


Resolution: 1.7→33.53 Å / SU ML: 0.3456 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 34.6277
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2588 4321 5.07 %
Rwork0.2232 80891 -
obs0.225 85212 94.64 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 37.21 Å2
Refinement stepCycle: LAST / Resolution: 1.7→33.53 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6238 0 16 389 6643
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01356442
X-RAY DIFFRACTIONf_angle_d0.98168739
X-RAY DIFFRACTIONf_chiral_restr0.0649911
X-RAY DIFFRACTIONf_plane_restr0.00751135
X-RAY DIFFRACTIONf_dihedral_angle_d18.13442412
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.7-1.720.3956820.39851725X-RAY DIFFRACTION58.94
1.72-1.740.43961100.40472093X-RAY DIFFRACTION75.47
1.74-1.760.38941400.39582453X-RAY DIFFRACTION84.88
1.76-1.780.42221300.39212626X-RAY DIFFRACTION91.99
1.78-1.810.41851470.38582666X-RAY DIFFRACTION94.52
1.81-1.830.37771590.38322676X-RAY DIFFRACTION93.91
1.83-1.860.38981340.3732753X-RAY DIFFRACTION95.91
1.86-1.890.36331240.36752664X-RAY DIFFRACTION94.99
1.89-1.910.39951440.36642763X-RAY DIFFRACTION94.97
1.91-1.950.38111550.34712681X-RAY DIFFRACTION95.91
1.95-1.980.37131520.33142734X-RAY DIFFRACTION95.82
1.98-2.020.35461340.31562781X-RAY DIFFRACTION96.14
2.02-2.050.35691610.29272744X-RAY DIFFRACTION96.87
2.05-2.10.32111390.27072738X-RAY DIFFRACTION96.67
2.1-2.140.31071480.25242786X-RAY DIFFRACTION97.06
2.14-2.190.3011510.23642778X-RAY DIFFRACTION96.89
2.19-2.250.27781490.22952740X-RAY DIFFRACTION97.9
2.25-2.310.30141230.2322844X-RAY DIFFRACTION97.44
2.31-2.370.30861550.22952744X-RAY DIFFRACTION97.71
2.37-2.450.28521460.21992803X-RAY DIFFRACTION97.78
2.45-2.540.2731680.21832773X-RAY DIFFRACTION97.9
2.54-2.640.251730.20232772X-RAY DIFFRACTION98.23
2.64-2.760.24641350.19962825X-RAY DIFFRACTION98.4
2.76-2.910.2321600.20392803X-RAY DIFFRACTION98.44
2.91-3.090.24591570.21812768X-RAY DIFFRACTION98.62
3.09-3.330.24071390.19472829X-RAY DIFFRACTION98.97
3.33-3.660.20411590.18782843X-RAY DIFFRACTION99.14
3.66-4.190.17781400.15892815X-RAY DIFFRACTION99.03
4.19-5.270.19491550.15042839X-RAY DIFFRACTION99.44
5.28-33.530.21931520.19682832X-RAY DIFFRACTION99.67
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)
14.28688530388-0.2196528060460.3837450012222.30660660377-1.337714329992.74697457269-0.073916350138-0.31791513781-0.04495683462770.408242880721-0.121193570648-0.108635226130.07970040128290.3737639746490.1586154835490.202684659614-0.0366823845144-0.02676814542430.2436457681110.02978313114940.12415225949332.444830155720.667591638120.0525617894
25.23583783256-2.39499689091-1.986204633587.314466063291.633628159772.78122066669-0.15901978983-0.2955339561770.31605391340.209432433277-0.0268617113633-0.632364312388-0.2411029304560.8217696790040.1292453356510.255893613362-0.0715365465745-0.05111178893840.6281322017940.05871005795190.2580498102542.923424492723.088040130319.8959306324
37.46546407379-2.39393330714-1.751767137332.372240888030.3308294587591.681993449250.2699918665310.1227801282680.9887083985790.0291212534824-0.169913871641-0.396605417246-0.7044715643360.403911776802-0.07625166121570.627965107226-0.203321844613-0.0699128368410.377190103890.04696052544710.24650867855931.594246324932.649023357616.7002799247
42.880194047160.094696160769-0.3194410195811.34987837644-1.028970888151.27979817156-0.002875337835180.335697287911-0.0860684963156-0.1087250974440.03114929968570.1396752902370.1241814368950.2251492866890.03332834354020.09926879422780.05453095781090.01547859528970.159924014037-0.06296915369450.15230389674122.577827640620.359011352811.358313425
57.064993622630.0547841669393-2.111747033691.19121848885-0.566610536251.85948257272-0.04305217546770.5963015743160.404401925024-0.192507550781-0.01941345644460.0987578465685-0.2137227646720.1823981053140.08689408679530.339337555569-0.0636506392942-0.09087387279330.2911282936190.02647832559250.2023190976821.540735245527.33919897953.51550466583
60.5866819198360.6862673041770.02680936275094.00161868028-2.479093703341.95514003693-0.124667542655-0.084691919257-0.351676829825-0.430046402513-0.19731006693-0.3183325808090.532282594290.5142690026170.3034236846930.5002860798240.1954530920130.1556816514460.4356212200760.02796241956250.37519519604636.6923316812-1.9139771317219.66405854
75.092716777863.100806021320.181992959662.60700009515-1.085260868512.341281085730.0594168935080.0708343474684-0.385313936657-0.407457079138-0.003010909683660.07783192316490.480517280143-0.333602985343-0.09503354493450.514991364260.247006873952-0.06706883073440.387024123673-0.08640918082880.49220999051525.7096732938-7.8495155879424.7696190864
81.55438512337-0.177414417756-0.3197645210050.2198527649770.4784032625441.05239451412-0.209794646573-0.026533126558-0.734189056583-0.466727730219-0.0015954769649-0.2204176497480.8954387350980.07995991260440.1834845437630.8989773501730.2163076003020.1227141972320.355028863875-0.05425016292720.62049421790530.4871902223-14.848326500223.1090893134
95.00122442816-1.303704586110.1469727425752.749089388540.5286615152111.817373673590.1877238336940.2096938007050.214039121636-0.146582063185-0.2039640200790.2315736057040.115943647570.0892822266130.02842682166930.3095967537360.2752181230240.05258012201570.374666981426-0.01781559456770.28701368288725.47830625177.8828614272532.1791779354
100.2176750817310.282705760405-0.3778413383170.374720303943-0.4480376627190.8327391032030.0398013002898-0.0644001370876-0.2938325806540.0101065861239-0.135510740036-0.4565242327680.2012169431170.3322994582470.1010689711780.6800241649910.4713748963470.0975804537040.9576926171720.1944618210370.5490670978245.0677918542-4.4542855375835.5557349117
112.05810635898-1.24821874338-0.2464762079761.56080033315-0.05272377273731.14343634234-0.113184094139-0.0188423377992-0.3011190357810.0330551264234-0.102834164118-0.05431641644070.2027518533990.261200684668-0.009177827732850.1223086632560.194478056390.08057504194910.5288303171180.02605650551740.23192199090434.29349860386.4517977924832.4158758118
124.27529659421-2.693108687463.361500676172.3034164979-2.533859113064.24794957832-0.195669672773-0.6346914887560.02029291185080.129949952249-0.0241005491629-0.168239821337-0.0501882989461-0.167217061029-0.04991069339720.07902672558990.07017639439470.04639054006630.434232982577-0.009502373071470.25222980374930.17401391114.86209893237.4752553165
137.70933033993.65945236402-2.423893757557.3689488452-1.697131571872.93536736777-0.117116109657-0.1696299629360.378600037950.2526973555260.0531210928936-0.15243091829-0.171095518124-0.216506888620.1119146694240.171638381548-0.0392320205558-0.08612081103580.694401181140.1494098806130.33230829976839.00121501099.2880336179848.4651951241
140.1244958681010.2687930904410.3131325484682.08509371894-0.2081257651314.36849969010.121576207882-0.511419407212-0.1299900526370.15344584634-0.124681989408-0.611342984928-0.05282603154560.8984845509790.01728331013070.344027755249-0.290581739668-0.04485939684881.029508359610.157166888830.52912386595441.874070731813.954047111937.3064222141
157.03953731966-1.415283791771.107475542551.98707708959-2.010086036672.067150049910.3221559572560.257084199288-0.569608020061-0.213774566728-0.306073045046-0.006155572710540.1531801871680.621914645382-0.04608534091940.2294291276880.007658461418320.04546134049120.378362577172-0.07017595138810.16648491886727.491762433414.618155084422.3017837799
164.76921744869-3.296768314112.666994817272.7423413045-2.21381210452.23736579294-0.061455748325-0.255974046496-0.05004062717030.054976196699-0.149161301355-0.2297498136990.2178937428250.5375963735770.193237430710.2166709629650.1531071434450.0876258591440.7190212723650.1150002063960.23435028536237.9284425928.8787757427833.1160426682
172.84562088721-1.26296545460.5379396112791.63532518258-0.596532356441.25987565528-0.1469347478-0.337679882113-0.4048367729410.1861556720250.0643058087367-0.1219836180440.3223510505750.3452204413850.02282503278880.1315836779510.305258381430.1690854633790.39006482479-0.02122516172820.15645364746330.49780674297.4043715427242.8859608233
184.05070833654-3.15630475734-3.675976196836.571181476465.611772822146.504559188690.009117500216680.306710738635-0.55250116671-0.176197719974-0.205674981241-0.0194385526790.5465661459110.4128831957080.1360600510060.4143060439510.1659915819440.1156337401080.3743380959870.05007922887940.3396880461431.8252963763-1.3070736370440.4074463335
194.4010181778-2.208428890150.6342613030911.41585681483-0.188045079720.1483745616410.1255235534130.4842444045820.583352348139-0.580632259139-0.08802944810760.476940690859-0.456987764723-0.188959098578-0.09201671024380.48566396637-0.0342369714476-0.09510892758610.4205745896170.1064103467140.41811546683726.030858984229.247244102311.1582170619
203.437105603020.3898263845330.5652572361543.976102811640.2955231617741.3942262695-0.1107658340990.410529555717-0.0859855331758-0.1981290037090.0500965154148-0.245820548305-0.04498314900670.4871662500720.02957413635080.268841570166-0.0702476968689-0.06882007317680.1836420650380.05198490753650.1654534120437.14038502753-13.15740351472.53589864966
218.259476293062.117708242153.851521036562.365477259551.285455251433.232377424210.217683530058-0.173005667627-0.7355548059480.298882875268-0.0702879619016-0.1743474866760.618053237259-0.0711198852752-0.2014812312190.415831057605-0.0860898846784-0.02198467309870.1713898479910.02343305933390.2365329607710.293451424747-23.65222849613.98557028417
222.533884128540.5169343160771.028886166511.999043694240.7073511706393.302649134270.0167370177482-0.05449744320630.1178197493220.361624752051-0.09541037605140.247386120381-0.145105652915-0.1735940049660.1036655674790.222939142354-0.04188596084070.03458875231290.09814507574990.01933140606540.208080812022-9.77104347459-11.11152449087.41920623547
238.014312534580.8823327295472.392265855252.70755997803-0.5535331131523.987030887920.151562135241-0.438452500713-0.2633456689790.78286379374-0.1543041980080.4553881997710.255217427369-0.5220662506520.002250962572890.504206002913-0.1046249997990.1058848321330.231840921546-0.02461388208540.28751518865-13.0283225484-17.86913624814.5373484872
241.110009945690.0610473201164-0.003772167444223.50796799909-0.6579090850061.893736766790.02826568043250.1018788282070.303194705949-0.0079490929939-0.0654607187845-0.0233703903550.0805448264101-0.3229040784690.02110776301280.242188086406-0.148599759336-0.1166965569740.2641995223920.01081795455850.2740293072653.3941176800713.09292856051.90881653813
253.51199348027-1.48363532392.054571542877.11307310344-4.983927959554.74427858437-0.2133300007050.01427274896880.656872630278-0.2239003077520.066858900980.314012076547-0.609600331318-0.3370458585970.2098087160030.359971508702-0.0382010892374-0.1026749388540.297614723032-0.0232570045060.4105693306381.2414011531826.40069512022.62653428977
268.898663131531.580143162610.6348888767074.93396418811.360146797575.468114378160.267525241606-0.0846705970756-0.3179130427380.03172728343320.005473039657070.5164748656570.155774727587-0.813635927006-0.1959847985710.382899988621-0.0693437380258-0.06289646226770.3042075742160.1056553563370.243894843421-1.884987048532.11635456494-11.2596591555
274.552831857451.70299435415-1.590145482683.13624826343-0.8952821267823.6731340033-0.0218597673830.210775115567-0.0695686025008-0.2664243034560.0938439356817-0.2988160828940.1117783033730.319337992858-0.07851613233430.238493954579-0.0337934994447-0.0350046798210.1761434529820.0297954306520.18959345525310.07494490792.02489418875-13.805856453
283.649854159081.32755681943-0.5284399899092.32125665273-0.5285042467842.22281820927-0.0426247461680.3890917167260.195316584115-0.3229352958820.1808222034570.03915352119180.0391746227208-0.0732840511932-0.117965153040.329840627136-0.0624162736044-0.06891825978330.173854976920.01147386435680.2020269634254.681653673640.341686037438-12.8325204537
292.2010405858-0.4511852343672.729981338557.146837904445.709420301368.9627071179-0.04476754198070.1375267429150.223786068647-0.2660945411780.09237062972410.134256956039-0.5343254735560.0969783301645-0.01846883096540.388544093902-0.0406970054672-0.04939353778090.246326193390.09984463253560.2989764574555.8792595331411.6878235264-17.173387598
304.92654869634-1.335616845171.431601805182.78634956636-0.5300506214674.427679191990.322741987605-0.0552320903224-0.756138043964-0.0406655287406-0.1071733445550.4496414577420.684401459873-0.543530768877-0.30976158120.304681529784-0.014783645526-0.0624431353270.1939812106620.01374130093010.245425298726-6.57099638519-20.08706773428.18194311715
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 30 )AA1 - 301 - 30
22chain 'A' and (resid 31 through 56 )AA31 - 5631 - 56
33chain 'A' and (resid 57 through 84 )AA57 - 8457 - 84
44chain 'A' and (resid 85 through 137 )AA85 - 13785 - 142
55chain 'A' and (resid 138 through 162 )AA138 - 162143 - 167
66chain 'A' and (resid 163 through 218 )AA163 - 218168 - 223
77chain 'A' and (resid 219 through 240 )AA219 - 240224 - 245
88chain 'A' and (resid 241 through 275 )AA241 - 275246 - 280
99chain 'B' and (resid 1 through 11 )BC1 - 111 - 11
1010chain 'B' and (resid 12 through 19 )BC12 - 1912 - 19
1111chain 'B' and (resid 20 through 30 )BC20 - 3020 - 30
1212chain 'B' and (resid 31 through 41 )BC31 - 4131 - 41
1313chain 'B' and (resid 42 through 46 )BC42 - 4642 - 46
1414chain 'B' and (resid 47 through 51 )BC47 - 5147 - 51
1515chain 'B' and (resid 52 through 61 )BC52 - 6152 - 61
1616chain 'B' and (resid 62 through 71 )BC62 - 7162 - 71
1717chain 'B' and (resid 72 through 90 )BC72 - 9072 - 90
1818chain 'B' and (resid 91 through 99 )BC91 - 9991 - 99
1919chain 'C' and (resid 1 through 7 )CD1 - 71 - 7
2020chain 'D' and (resid 1 through 56 )DE1 - 561 - 56
2121chain 'D' and (resid 57 through 84 )DE57 - 8457 - 84
2222chain 'D' and (resid 85 through 137 )DE85 - 13785 - 137
2323chain 'D' and (resid 138 through 162 )DE138 - 162138 - 162
2424chain 'D' and (resid 163 through 249 )DE163 - 249163 - 249
2525chain 'D' and (resid 250 through 275 )DE250 - 275250 - 275
2626chain 'E' and (resid 1 through 11 )EF1 - 111 - 11
2727chain 'E' and (resid 12 through 51 )EF12 - 5112 - 51
2828chain 'E' and (resid 52 through 90 )EF52 - 9052 - 90
2929chain 'E' and (resid 91 through 99 )EF91 - 9991 - 99
3030chain 'F' and (resid 1 through 7 )FG1 - 71 - 7

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