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

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Basic information

Entry
Database: PDB / ID: 7lfm
TitleMODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, TRICLINIC CELL, REFINED AT 1.60 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: 1.6 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)90,7768
Polymers90,5326
Non-polymers2442
Water8,881493
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)45,5105
Polymers45,2663
Non-polymers2442
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4410 Å2
ΔGint-28 kcal/mol
Surface area19680 Å2
MethodPISA
2
D: Histocompatibility 2, M region locus 3
E: Beta-2-microglobulin
F: Heptapeptide from NADH-ubiquinone oxidoreductase chain 1


Theoretical massNumber of molelcules
Total (without water)45,2663
Polymers45,2663
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4100 Å2
ΔGint-25 kcal/mol
Surface area19200 Å2
MethodPISA
Unit cell
Length a, b, c (Å)63.743, 65.019, 54.584
Angle α, β, γ (deg.)98.545, 98.221, 112.356
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 Ib Antigen H2-M3 / 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: 911.118 Da / Num. of mol.: 2 / Fragment: First seven amino-terminal residues / Mutation: I6V / 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, 494 molecules

#5: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 493 / 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: 2.23 Å3/Da / Density % sol: 44.85 %
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: 1.6→19.1 Å / Num. obs: 87557 / % possible obs: 84.9 % / Redundancy: 1.6 % / Biso Wilson estimate: 20.02 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 7.8
Reflection shellResolution: 1.6→1.65 Å / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 4287 / % possible all: 46.2

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Processing

Software
NameVersionClassification
PHENIX1.19.2-3874refinement
PDB_EXTRACT3.27data extraction
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: 1MHC

1mhc


Resolution: 1.6→19.09 Å / SU ML: 0.2057 / Cross valid method: FREE R-VALUE / σ(F): 1.92 / Phase error: 23.4865
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2173 1706 1.95 %
Rwork0.1837 85849 -
obs0.1843 87555 84.89 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 31.35 Å2
Refinement stepCycle: LAST / Resolution: 1.6→19.09 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6212 0 15 493 6720
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01076427
X-RAY DIFFRACTIONf_angle_d1.11758725
X-RAY DIFFRACTIONf_chiral_restr0.063912
X-RAY DIFFRACTIONf_plane_restr0.00771134
X-RAY DIFFRACTIONf_dihedral_angle_d14.59042407
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.6-1.650.3354890.29354287X-RAY DIFFRACTION51.19
1.65-1.70.28531230.28366211X-RAY DIFFRACTION73.73
1.7-1.760.28021500.26516923X-RAY DIFFRACTION82.05
1.76-1.830.30781600.24987216X-RAY DIFFRACTION85.8
1.83-1.910.26421610.22747340X-RAY DIFFRACTION87.39
1.91-2.020.2751520.20277468X-RAY DIFFRACTION88.54
2.02-2.140.2131290.18057622X-RAY DIFFRACTION90.38
2.14-2.310.211470.1737805X-RAY DIFFRACTION92.42
2.31-2.540.22051360.17027822X-RAY DIFFRACTION92.6
2.54-2.90.19631570.1747915X-RAY DIFFRACTION93.47
2.9-3.660.21051410.17097684X-RAY DIFFRACTION91.31
3.66-19.090.18161610.16327556X-RAY DIFFRACTION89.67
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)
13.69784806063-1.81667008585-1.132631099674.199418354630.5049810743982.67451934899-0.0539930882679-0.2273028687770.2097020925890.1697037297640.0399549950072-0.187605966642-0.06198213812970.2517947878290.0001728396019280.153712977309-0.0125204991095-0.003950337776760.1598647667240.02077924447540.097033003754937.157336386320.339385944321.0964683921
28.52040845223-2.5205553795-1.597975176112.77072928140.9726123997941.304512787270.2657201903460.5287184274631.2309754223-0.1608494515-0.243546272807-0.309199241142-0.2958194819630.0109127593824-0.00901977211720.309038290799-0.03259465649860.002169702375340.2047518444580.05685363062250.20209064901232.00315983131.179444871616.9998423422
33.39823690289-0.179649257660.1313908986951.897858136020.2346378854172.45423338407-0.02047115824110.3446649293780.0853780227849-0.208214467762-0.0572062393820.1875390614020.04153320018180.05579891481090.08211713844860.189183108094-0.00676636944116-0.03195777049940.139729611409-0.004974355538680.12150140833622.475125785221.4897364848.8942933238
41.68317178671.31455343378-1.379371355713.48534470623-2.466115820083.02920905115-0.1422147883560.0563095843324-0.333636211906-0.16987282344-0.0713537156263-0.2048761707770.1813462248190.01959854126330.2918898604030.1756426542350.06537937030950.01412848053490.222227075609-0.02511598491860.18465259504534.7058243955-3.387851320721.6001902207
55.344172160942.50091159691-0.143211436873.11063814407-1.298140630483.24327679143-0.002222725147320.116606118558-0.341916797825-0.3000200108170.08764640997940.253549211560.402093167779-0.385871843036-0.05483801268890.2353722217030.02645446034680.001043499359450.20337415786-0.05709038041140.24118619485123.5437714499-8.3496992824226.1972463629
63.685231486271.03398837584-1.183073116110.76752234885-1.534759140063.36225279157-0.3422929067690.147637047924-0.927719628398-0.425951645370.00774277546897-0.1733054434960.92877466936-0.1300060728750.3157666748240.3781829123840.007857165274520.09532312024430.156925927825-0.06424826997630.4036474387527.7714255147-16.042629448325.3679909363
76.76361586272-3.085331655433.734977035436.00470774553-3.28418487697.15529636694-0.0239272963184-0.152400319657-0.11824361116-0.1116764392130.2192301811670.518638242588-0.0877328305837-0.604040870056-0.1759461752050.112370346846-0.0151698899130.03597638604860.1870423676120.0008241459647130.12328100609623.73069762387.5879008361933.0322192557
83.5591924986-3.728474020640.621207816866.97913487861-0.7141973763831.764046736340.0355246732454-0.0413290670639-0.1681330203160.122012476982-0.0257876524045-0.1739490345030.04526005746910.183704488004-0.01509231103150.1247463599140.0297188116370.008122586135660.1792933043980.0003684848252250.13013848827736.62156033920.82127540096735.5171357719
93.51637218915-4.171682479240.9426997041075.53672343697-1.341696223972.12742250363-0.143966298842-0.124548409117-0.1810710917330.3768636550180.1740275970830.0808178192797-0.5022203616960.2863397371720.02072319208990.1703228666-0.03106707063730.03712902909080.2127219001160.001082238853590.16501457869828.67457697514.483486756838.3105807582
108.767746421872.33319118062-5.345249689534.29073500673-3.943116384275.033097979540.278495179321-0.1192580943240.762365413791.312354027320.175347531232-0.0855730042454-0.1231067620880.587844044682-0.2868686380750.317324884010.054275239706-0.02371044269040.349588944463-0.008994202927320.090688398280436.61926664549.0192908456149.7931880204
115.05972977878-0.7203277160083.584472883655.60842457505-0.4788318977892.536966482980.157533331946-0.7665004108850.3560295198740.691949816310.193319173388-0.9780361010450.09355658486680.898640152720.2821117924410.328925406661-0.08140277348-0.05906770731590.5508058411550.04815669555530.27354543050840.221481230812.868193135839.075424915
128.25297220176-1.464062538363.830401958432.18507163087-2.258623770154.759390155240.1866008714070.0964933101454-0.570827499466-0.190675704578-0.0651044866983-0.01656732741970.2867096744280.205926577075-0.07938388833570.2522982901760.004509462605550.03936552653510.164189467684-0.03382982257040.12802745623126.650023436313.654100871522.824008942
134.03680144998-2.717450371091.694016710942.67797109843-0.9428109579863.58886550914-0.169970203275-0.330905155519-0.08726257039910.2247045048610.1462993922330.04316467551590.2146686596620.01681740071450.03843682646620.150377960154-0.0178929356770.01438683882540.131632743383-0.01392522004580.11592742287131.13287978437.5115009463440.4848946855
146.11892465462-4.18548530655-5.141625429968.1030917637.020353869028.80760835604-0.218258638634-0.522283601704-0.5572811074810.4152306119380.2292134177120.1970517688620.32955498880.2395546839320.04465221268140.188149301948-0.01888868039840.00667284212280.2083458314850.06486634269970.18944166562429.2915248652-1.6016420053741.9210390055
156.01263060582-5.444175815631.448695022217.72213477943-0.624375108771.21868484870.6416929386860.7600693502870.434783020055-0.928644789124-0.4387920132270.5590079653010.00880003927102-0.197621754354-0.2328936064920.229716302426-0.00983817663778-0.01465911679190.2592278185860.08256144408870.2543569802426.62658811627.875782834111.2108057888
163.621698499631.433868990871.859338055472.78805702016-0.4896340075743.83917439567-0.1576199121680.566572331743-0.0629795375874-0.3848309215610.171020642705-0.245138856577-0.05633591215410.525007195278-0.09829875493450.148656447688-0.04900939433140.01404245388850.2331069463970.03791835308760.1607272530321.24454128174-11.77170423921.57605634485
175.000719307972.08384436111.091012271196.476596545461.009625496483.02345191603-0.2910497252810.56921224274-0.325945630437-0.2820221527640.331202678409-0.5092557097440.0729005854290.691888212618-0.03630888877290.1264281648480.012455385350.03406359897060.258999583492-0.006646543905670.22718961010810.8805173336-14.83161333564.75592343133
189.259189150131.475760724855.236216043752.432377525280.9256989817134.845953794390.4084929810250.186863998432-0.6348524979460.113315730261-0.105493399326-0.1909231728510.5114673337190.121673429958-0.3517929148130.267870552419-0.007584519447340.0822086950950.147505703956-0.0328966069550.179855187173-1.56496481044-23.11231111984.47976988568
191.617064152180.622818783821.520101300442.026733760010.9077064014743.8426072635-0.08271303354590.008715154069870.0920283769807-0.0010469656262-0.04390367002920.0471761451915-0.265222889689-0.07595907474310.1373337041520.13092613660.004664543364560.02250305452260.127379152275-0.0093983826880.151298877335-10.7692600509-9.900513306936.81455496269
208.690839229752.066709950183.032680055232.740200547120.3978955119024.597841912540.309562495089-0.601843643163-0.01221832197140.372902136954-0.3033611798330.3266887105910.209646188558-0.4950818353160.01877269148640.240153522596-0.02086107569760.06957820605380.140505091337-0.02788995365180.171239573702-14.8794468595-16.1446107813.8363124557
212.703258296171.185582844230.4124656161525.00675927957-1.553889961191.975092178950.261042121984-0.335363167415-0.2317657821550.700149634937-0.392137187089-0.605696518545-0.1971299342860.3077872828380.2153239052830.244564043526-0.0760997831268-0.04942718997420.2334351386590.00549766260890.2162404191479.95377560208-2.1875136571216.0112184979
222.849929551962.233986032980.5196999694583.047482491972.357353882773.9231831724-0.5214632053570.326624854750.925829607008-0.773870352783-0.3032927721051.21384426515-0.807325753605-0.7435373916360.17667166430.3888870733560.0814064386052-0.3260778201070.326307559481-0.02297387807060.669576024751.2039295461620.625669769-1.3833297488
236.512763970593.889943256761.299763200724.71341903580.9972088824164.862749331520.172062934120.11556118710.5417045506660.03453823625150.07361048584230.5158005235410.00299898779038-0.184989367721-0.155663872610.1278286849680.0225609772979-0.0204328987730.1481286732960.04986925591580.26270175653-1.281507798392.00976394636-11.7375437086
244.545455570842.90584068544-5.124763176421.8362072702-3.23285752495.654091634850.168444365896-0.634577997350.523117332760.06936461516620.001410234638560.0367467868761-1.365863893040.985377672167-0.05433573512450.337329776-0.260402011012-0.04747190337010.398194586134-0.02025283499320.44833245974819.099452554812.9475835604-9.81981374567
257.121497141525.30580517503-1.459374808385.19170279603-0.6430437679732.403651735510.1338830423590.06334297926490.1152618365160.0574542538624-0.0955675705487-0.201605827031-0.07627910047950.222431746867-0.04434541014290.100457636565-0.0119452584794-0.02085548674520.1479214166270.04793240689090.1927531722577.338544178422.86257464806-9.79500340213
263.787198997634.7050307552-3.98672741556.61005270329-5.439013513895.94599950079-0.9994681143690.603842601266-1.03565669896-0.841754056380.156995748698-0.8710886749660.668215551938-0.08656075258430.5896956416050.255083469171-0.05429929161030.02943703838920.2055165790170.0002398213546720.233066306263.99675554288-5.22721378405-15.8210201602
273.330326679452.57595849282-3.577724264788.92379579098-4.790656424528.75741139492-0.544524256667-0.0280563875185-0.28220421369-0.4866408518590.252029809211-0.3353018463670.3074136041631.149567340440.2957046985880.256025401489-0.009033632212840.06902270521060.3932337712370.03974955936520.33896355641715.1001021041-2.68426083601-18.3756797113
286.872405352345.12184744055-4.014823114255.37881189659-2.845679738324.019344301880.0476614290285-0.433484757970.3967001251420.0842812198782-0.118542597621-0.117961328251-0.04034751886320.331098892760.05397082504970.169582229498-0.0222806155883-0.02750072422360.1812070253240.007088537018270.1823185776154.52812312028-2.46572938658-5.7931797836
296.61903530165.25178433905-0.9797000519316.73927307040.4612093236883.70495451398-0.9780656551630.9941669004750.0291679659245-1.027870801090.610202753864-0.264600176641-0.02918430768020.03041411309030.3456529259690.3158863877-0.0447660949612-0.003222721127440.285367455530.07476260112210.2482466034416.042717221552.29316624417-20.816951435
305.726014927171.275813957293.598241699175.156782781884.811466330416.90977767212-0.6183001202050.4614826665290.850860182249-0.5519981333110.559239986691-0.117568169822-1.04029978650.1127962826840.09339113614430.392145516082-0.0865733579444-0.08312217498620.3110978196170.1390195894660.4314677633396.9145159215410.8455897723-17.4155448192
318.90097350233-0.8281901282683.267700009842.02474612941-1.205933820712.14491264410.417138950566-0.0784351889947-0.6263461899010.0404207654566-0.1573953901820.4699424259040.323184012615-0.392960263794-0.3097724852420.2173224663690.00273452569751-0.0004147321756820.228346319797-0.02523385596250.212667551132-8.26436749422-18.97072981758.20442128515
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 56 )AA1 - 561 - 60
22chain 'A' and (resid 57 through 84 )AA57 - 8461 - 88
33chain 'A' and (resid 85 through 162 )AA85 - 16289 - 170
44chain 'A' and (resid 163 through 218 )AA163 - 218171 - 226
55chain 'A' and (resid 219 through 240 )AA219 - 240227 - 248
66chain 'A' and (resid 241 through 276 )AA241 - 276249 - 284
77chain 'B' and (resid 1 through 11 )BC1 - 111 - 11
88chain 'B' and (resid 12 through 30 )BC12 - 3012 - 30
99chain 'B' and (resid 31 through 41 )BC31 - 4131 - 41
1010chain 'B' and (resid 42 through 46 )BC42 - 4642 - 46
1111chain 'B' and (resid 47 through 51 )BC47 - 5147 - 51
1212chain 'B' and (resid 52 through 61 )BC52 - 6152 - 63
1313chain 'B' and (resid 62 through 90 )BC62 - 9064 - 92
1414chain 'B' and (resid 91 through 99 )BC91 - 9993 - 101
1515chain 'C' and (resid 1 through 7 )CD1 - 71 - 7
1616chain 'D' and (resid 1 through 30 )DE1 - 301 - 30
1717chain 'D' and (resid 31 through 56 )DE31 - 5631 - 56
1818chain 'D' and (resid 57 through 84 )DE57 - 8457 - 84
1919chain 'D' and (resid 85 through 137 )DE85 - 13785 - 137
2020chain 'D' and (resid 138 through 162 )DE138 - 162138 - 162
2121chain 'D' and (resid 163 through 185 )DE163 - 185163 - 185
2222chain 'D' and (resid 186 through 274 )DE186 - 274186 - 271
2323chain 'E' and (resid 1 through 11 )EF1 - 111 - 11
2424chain 'E' and (resid 12 through 19 )EF12 - 1912 - 19
2525chain 'E' and (resid 20 through 30 )EF20 - 3020 - 30
2626chain 'E' and (resid 31 through 41 )EF31 - 4131 - 41
2727chain 'E' and (resid 42 through 51 )EF42 - 5142 - 51
2828chain 'E' and (resid 52 through 71 )EF52 - 7152 - 71
2929chain 'E' and (resid 72 through 90 )EF72 - 9072 - 90
3030chain 'E' and (resid 91 through 99 )EF91 - 9991 - 99
3131chain 'F' and (resid 1 through 7 )FG1 - 71 - 7

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