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

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Basic information

Entry
Database: PDB / ID: 7lfj
TitleMODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, ALA MUTANT, 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 / regulation of membrane depolarization / 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 / cellular response to iron ion / 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 type II interferon production / positive regulation of nitric oxide biosynthetic process / sensory perception of smell / positive regulation of T cell activation / antimicrobial humoral immune response mediated by antimicrobial peptide / 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 / antibacterial humoral response / protein homotetramerization / intracellular iron ion homeostasis / cellular response to lipopolysaccharide / amyloid fibril formation / defense response to Gram-negative bacterium / mitochondrial inner membrane / learning or memory / response to hypoxia / defense response to Gram-positive bacterium / defense response to bacterium / response to xenobiotic stimulus / immune response / lysosomal membrane / external side of plasma membrane / signaling receptor binding / innate immune response / neuronal cell body / dendrite / structural molecule activity / Golgi apparatus / protein homodimerization activity / mitochondrion / extracellular space / identical protein binding / plasma membrane / 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)RO1-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

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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)90,7208
Polymers90,4766
Non-polymers2442
Water8,647480
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)45,4825
Polymers45,2383
Non-polymers2442
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4310 Å2
ΔGint-30 kcal/mol
Surface area19840 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)45,2383
Polymers45,2383
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3960 Å2
ΔGint-23 kcal/mol
Surface area19900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)63.866, 65.292, 55.125
Angle α, β, γ (deg.)99.435, 97.897, 111.902
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: 883.065 Da / Num. of mol.: 2 / Fragment: First seven amino-terminal residues / Mutation: I6A / 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: obtained synthetically / 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, 481 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.: 480 / 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: 2.27 Å3/Da / Density % sol: 45.82 %
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→19.1 Å / Num. obs: 78646 / % possible obs: 83.7 % / Redundancy: 2.1 % / Biso Wilson estimate: 21.07 Å2 / Rmerge(I) obs: 0.052 / Net I/σ(I): 11.6
Reflection shellResolution: 1.7→1.75 Å / Rmerge(I) obs: 0.338 / Mean I/σ(I) obs: 2.5 / Num. unique obs: 990 / % possible all: 35.2

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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→19.08 Å / SU ML: 0.1732 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 23.4719
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2073 3697 5.05 %
Rwork0.1747 69448 -
obs0.1764 73145 83.62 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 30.37 Å2
Refinement stepCycle: LAST / Resolution: 1.7→19.08 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6246 0 15 480 6741
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00946434
X-RAY DIFFRACTIONf_angle_d1.02918727
X-RAY DIFFRACTIONf_chiral_restr0.0631909
X-RAY DIFFRACTIONf_plane_restr0.00711135
X-RAY DIFFRACTIONf_dihedral_angle_d18.04052404
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.7-1.720.2469580.2217990X-RAY DIFFRACTION31.16
1.72-1.750.3315410.21721036X-RAY DIFFRACTION32.57
1.75-1.770.2585510.20761016X-RAY DIFFRACTION31.34
1.77-1.80.3016650.23621260X-RAY DIFFRACTION39.84
1.8-1.830.28031180.24192144X-RAY DIFFRACTION65.97
1.83-1.860.27341270.23052279X-RAY DIFFRACTION71.82
1.86-1.890.26171170.21632437X-RAY DIFFRACTION77.09
1.89-1.920.25081550.20812751X-RAY DIFFRACTION85.37
1.92-1.960.27081500.21533069X-RAY DIFFRACTION94.82
1.96-20.23651580.20193036X-RAY DIFFRACTION95.66
2-2.040.18851590.19393073X-RAY DIFFRACTION95.42
2.04-2.090.23231760.1893039X-RAY DIFFRACTION97.07
2.09-2.140.2591590.18133100X-RAY DIFFRACTION96.33
2.14-2.20.23241590.1733113X-RAY DIFFRACTION96.86
2.2-2.260.21761720.16483112X-RAY DIFFRACTION97.77
2.26-2.340.22891890.17243091X-RAY DIFFRACTION97.19
2.34-2.420.221750.16993097X-RAY DIFFRACTION97.21
2.42-2.520.22361450.16863128X-RAY DIFFRACTION97.67
2.52-2.630.221660.17393118X-RAY DIFFRACTION97.48
2.63-2.770.22841590.1763130X-RAY DIFFRACTION98.03
2.77-2.940.18021690.17413115X-RAY DIFFRACTION98.03
2.94-3.170.20981810.1723146X-RAY DIFFRACTION98.14
3.17-3.490.1991500.16483161X-RAY DIFFRACTION98.19
3.49-3.990.16641670.1583126X-RAY DIFFRACTION97.92
3.99-5.010.15971750.14283015X-RAY DIFFRACTION94.97
5.01-19.080.21571560.19312866X-RAY DIFFRACTION89.78
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)
12.34648279732-0.7937405415490.7452960279531.46836912362-1.723882447311.80927253514-0.221239576251-0.263456603889-0.0006920959466480.3002166872930.1742706878570.0637927591549-0.002101570377950.2333292511830.04867393855930.183877830763-0.009332531441070.03075610881070.2942752478310.006866730331660.1200180175531.999614629619.388133384920.8930898121
22.77550687787-0.652794843271-0.1020017401313.24107208641-0.4478840163821.84639992431-0.164228463167-0.2252205185110.3212097339720.3053133387620.0377520087224-0.328096534702-0.157862610580.1812092359670.09170997808650.206045956329-0.00723932420963-0.03561421054250.297978876350.0003415388212410.22096936330442.767520896621.060310904921.071443676
36.80666040062-0.624486043226-0.9515991492681.82384543040.7148360682710.713417663242-0.008267625106820.1561252005481.06302741551-0.102169872678-0.00404054047099-0.275312826695-0.2006280411260.1339666580920.03623838186840.325712152052-0.0455800215044-0.03342774961780.2418463764780.05876898186290.25031488363332.28119119431.221082819217.1501456208
42.93369756548-0.0293227074220.3881509778970.73500701444-0.6755340460221.91975603144-0.05048762541190.205193764182-0.0439145547876-0.13629576873-0.03734429883120.0579068923880.07245428265890.2408632346480.02964933683970.168339820763-0.01554080762760.02198974742370.158985292644-0.01070604909020.082932080318422.273986064821.68590895479.22051626465
51.387718355550.669656506085-0.6018813811332.59823826953-1.287051112291.54652541731-0.127871303327-0.0131539090911-0.331493609888-0.273527878586-0.0458273572953-0.01115828229930.255968319760.09073308376970.157241513950.1996110257070.07201452666170.03190124370110.259936102495-0.04614891702420.22546773570331.0578516109-5.2362107721223.4891808926
62.778844264191.34492723344-1.691763379872.61314538977-3.056150823265.27000339-0.2095320047030.106718908209-0.624059677058-0.5296762959970.1935413618210.01562808096181.123822953990.177725537978-0.06857469778880.4508579345370.04935035842940.05675763666760.25287068867-0.1011577605960.52535758563227.8267664159-18.723016868423.9330158546
75.05805012973-2.7534363210.5789400640794.27526333775-0.5993840538771.46502350980.1668091221380.3208212333270.0480122236722-0.16131038493-0.07174393043670.315029499851-0.064804563733-0.148441817406-0.06714511703840.1184502220560.03078985592320.05198644777010.3220405164410.02641412132610.14395063043923.89439580987.3970030699533.1633033492
81.21816386146-1.031604287580.8860546075081.612306916310.006911826914240.623170513670.2207038347810.177752319794-0.266363677384-0.0503188516649-0.09884189565470.01069731119270.1272299268260.110469487593-0.08997812583110.1510825615620.02860526421310.02756566670970.2935858134520.01469798990280.13954024675936.74028613190.52143228761935.5558513571
93.00611258016-2.523832221992.543067116522.97459287411-3.067024755673.7823412359-0.150632174491-0.1198442857720.2933155286810.270052427407-0.0824040664571-0.35581083027-0.2744442748820.2586585435730.07178487374830.162032176144-0.004573901212760.00620782891610.311260250835-0.01986345237230.1327419128128.961840526314.208525635738.5037376647
105.207972103841.37587793174-1.986026652898.6048803038-0.7208054857556.21634265418-0.0852872295538-0.1245955394070.5539507958380.7162692328950.5069959747470.3954495582020.0198732498219-0.0613763469361-0.1094232061970.235200035871-0.00712503287861-0.01743346624430.3800414894130.002473795701660.20906298825936.91651336038.5753987644849.9023901603
111.115402416350.706095514921-2.151859857532.701582697952.028673057639.574321192890.17421149044-0.6360806975710.1824996443070.413420118443-0.0372878492935-1.151183932440.2041096986121.06015195532-0.08754237297990.250180700121-0.0924463804082-0.06685473256290.546413004460.04584208721210.49205257414940.50671185312.528122624738.9342171749
125.67867715247-1.768033111372.408758980751.35539189411-1.457752002921.737815977370.54241915302-0.0471355829346-0.0915441270209-0.134857917947-0.3031422564770.009537924389480.2665220370840.288861559366-0.1679470569940.198112461148-0.0065160561050.02738528743480.3033053006980.03078969378290.11350318147826.745309632313.800800775323.0436095709
132.07140114047-1.30572937120.2210012787411.553157071260.3292557765391.70704995117-0.225010304621-0.217289649354-0.01238251877140.3286781363530.11041097758-0.06003613039470.07040907498570.1561269148650.08177296462370.1694289626920.015746562670.03516471460340.2882745718340.01088262570110.11184571633931.37184545937.1574400927740.6201102876
141.68571643283-1.3531851959-1.374450990766.349128408862.546587765512.084564297460.0244545026447-0.395578938597-0.334671132080.525715230362-0.185027856110.2466264097740.1402566802120.08451371371940.1554072656980.180550306102-0.00713857128970.03057133953870.3589446641250.04652400365350.18585291039329.3827239555-1.9263021842142.0392784743
153.5425234592-0.6839258229-0.6567064548683.542607284230.8192880733042.978047533150.4087799522610.09870306534070.558428141896-0.124736420148-0.6431572057560.441922786804-0.660259307794-0.3866330220360.182415030490.3162516356740.01348940571660.02865834187440.469952536371-0.02000144838960.32489590703326.812096585827.930464543411.3509120856
162.435825690380.3881379895680.2156777569912.12487297105-0.6755107925961.45125074649-0.06656703919950.254722489066-0.17045161205-0.06842961804820.0336325782365-0.4292133820680.1300178838250.2724107778060.03666960641950.1642158284560.0148834046045-0.006310207673260.1415210197950.007519631425020.218420461765.8878125799-13.07141102092.95941444789
176.41496502604-0.1755752952762.487382317711.93185960496-0.3150450145532.346250242270.3841433231380.171988560026-0.4857469612620.205994733709-0.102467098658-0.2029697612130.7170460011890.116639717725-0.1785480819170.3068469107830.01714778111890.04008804119310.126106417982-0.0155515087910.221008775923-1.38860074555-23.11587422514.4411955036
181.76083398640.9003070572240.559307984121.77168560861-0.6334123887620.696222530385-0.0593769193904-0.0753407828630.1763648765110.0495122251201-0.09245791648660.139846356587-0.109322626426-0.1808454796220.1520314369960.17640109210.0261067260603-0.007974175591630.158540059578-0.0356106349560.177744714395-11.0071381952-10.09386906096.92440159691
192.164918797840.1307544846660.6690498486253.38114511502-1.240523904538.470014306470.0557999338308-0.0411188643174-0.20751579541-0.0427604842363-0.1602262308630.2658262624830.355600480883-0.6970005364450.06168250939270.178705159348-0.003073318158110.03323875693710.264324577051-0.0561364003860.281449506324-21.9321005507-17.77329162039.03977670272
205.191025179871.289035078820.5515422511741.649010836690.1798600057531.825307744540.364094550295-0.555025552922-0.5814606850260.966957278893-0.368172551026-0.4536859160660.130907287824-0.004047657595470.005939762218280.363202807117-0.0121872780791-0.1340865759290.1775236595330.0493571046730.2041874729060.588792590596-11.798795845718.9557650335
210.843279690340.406604646243-0.5024312334912.876197242360.03720280888211.946061456670.0475942133882-0.02272338416530.146650879541-0.02052318176920.150855026151-0.187823604348-0.179332880861-0.150101283659-0.1954215047750.134480842946-0.0503294065486-0.01380026610050.1322691027750.03490007301190.2400681180657.7273112468916.24250168670.568839450642
220.9830675613470.630364422887-0.5756750977181.464648093770.2218056931151.968889007180.03736053205180.1893293167170.0724018003059-0.1417073375680.003899714895050.346885103472-0.174206131368-0.355212285948-0.03582582966550.1503168152460.00329279575586-0.04317151919260.20403348441-0.000283921838330.261482599932-0.33014993453517.3678861022-0.995827467395
232.04500790421-0.0483762668960.2207207476561.616100853910.06682082536842.90756812599-0.02062672516460.1859863267110.335174481415-0.1181757538090.04752682356180.207982296486-0.531684647133-0.123460091704-0.05144040710430.198409172802-0.0146015519919-0.02670913475750.1388803004770.04347289742720.2808550912041.4560410530124.40022156520.622191503153
245.921842880762.73048375590.00012492854853.618779888080.9468365419961.681854615130.1644431207540.143617156517-0.159974093452-0.07060870353770.001895919155090.1641267267730.235437578985-0.284057417417-0.2471812919970.195008223504-0.0284402110671-0.04381717703610.1774762022580.04345474615220.227322088731-1.607944359932.31169619752-11.512302759
251.334166771071.09453426685-1.896432887281.95013096371-1.908637342543.081082311510.322259117641-0.3978096788370.4230205807710.33788439667-0.171501574826-0.32323585325-0.5652577394720.968565162739-0.04161710927160.204144756503-0.1305997611190.04510722077430.368062766157-0.04052195417930.45336999614219.089401800313.4394164298-9.90669377467
262.88932950561.00182261364-1.134269976531.38899110538-1.086448841161.39849536994-0.06992678210780.07434599099370.0596916782075-0.214635581840.0443930776690.003274083074370.287891647839-0.01120646627450.003384238555920.2033640567-0.00207402704932-0.02769828454370.16752026117-0.0008444298780460.2197756803235.29718926681-0.837827213956-12.8059206079
271.50165565962.24272865063-2.473796144273.29275204046-2.889579127299.24137322719-0.02055081733880.07993127679240.323413659932-0.2500979393520.3395618344420.1125262247410.5089087841391.22978151083-0.283453134890.2988223704660.09508570119290.003256164902480.3492291763450.01781949425780.38155689388614.7709499767-2.13805603983-18.4271155523
282.127647399461.67262676493-1.032801897821.54838034549-0.896992521761.166596035140.122119892384-0.1004094315210.1587148539160.0207147072013-0.007650455201410.06040218440970.08181789031940.0848673518758-0.1282031035830.2056958140720.00019226004179-0.008357411668780.13429060178-0.009593152187330.2165868976394.14955777968-2.2516230606-5.74964187532
296.780176413013.32558080819-0.4140972907913.187635949280.1914738979911.62392294662-0.7438464530081.225561812730.154283955205-0.7782283721470.7188191202780.03121405012420.125706059115-0.1318480517220.03649270758710.327572714532-0.0585018414531-0.01298105545690.3046360922770.01614037502880.1928830559015.558996577032.93479486172-20.7817321011
301.689535884420.7243281065660.8718098565373.092180192881.376537980912.78658242640.1563113654910.1190494571470.2177113029890.2186358666480.1190802872520.0691275026907-0.273498698622-0.426376459576-0.2647351223780.288597498431-0.0286082442619-0.03501520877310.2498842319410.08531885985690.2796998702746.4579340039411.3050197554-17.1480363604
313.04480404569-2.27495431096-1.799636291483.01555710265-0.9563352539155.15869374616-0.477156314496-0.0901836233686-0.471328565958-0.09063171377940.09489701010850.3687582624670.530213784484-0.6803969071790.1853804942220.288017804934-0.02810153782710.05137511184780.208359434745-0.01946380081410.214546286521-7.62477040468-20.2642899048.63169527945
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 162 )AA85 - 16285 - 162
55chain 'A' and (resid 163 through 249 )AA163 - 249163 - 249
66chain 'A' and (resid 250 through 276 )AA250 - 276250 - 276
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 - 61
1313chain 'B' and (resid 62 through 90 )BC62 - 9062 - 90
1414chain 'B' and (resid 91 through 99 )BC91 - 9991 - 99
1515chain 'C' and (resid 1 through 7 )CD1 - 71 - 7
1616chain 'D' and (resid 1 through 56 )DE1 - 561 - 56
1717chain 'D' and (resid 57 through 84 )DE57 - 8457 - 84
1818chain 'D' and (resid 85 through 137 )DE85 - 13785 - 137
1919chain 'D' and (resid 138 through 150 )DE138 - 150138 - 150
2020chain 'D' and (resid 151 through 174 )DE151 - 174151 - 174
2121chain 'D' and (resid 175 through 197 )DE175 - 197175 - 197
2222chain 'D' and (resid 198 through 240 )DE198 - 240198 - 240
2323chain 'D' and (resid 241 through 276 )DE241 - 276241 - 276
2424chain 'E' and (resid 1 through 11 )EF1 - 111 - 11
2525chain 'E' and (resid 12 through 19 )EF12 - 1912 - 19
2626chain 'E' and (resid 20 through 41 )EF20 - 4120 - 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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