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- PDB-9ejd: Crystal structure of HLA-B*07:02 with the 9-mer TP53 mutant pepti... -

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Basic information

Entry
Database: PDB / ID: 9ejd
TitleCrystal structure of HLA-B*07:02 with the 9-mer TP53 mutant peptide SPILTIITL
Components
  • Beta-2-microglobulin
  • HLA class I histocompatibility antigen, B alpha chain
  • Peptide from Cellular tumor antigen p53
KeywordsIMMUNE SYSTEM / HLA-B*07:02 / TP53 / neoantigen
Function / homology
Function and homology information


regulation of interleukin-12 production / regulation of dendritic cell differentiation / regulation of T cell anergy / negative regulation of helicase activity / Loss of function of TP53 in cancer due to loss of tetramerization ability / Regulation of TP53 Expression / signal transduction by p53 class mediator / negative regulation of G1 to G0 transition / negative regulation of glucose catabolic process to lactate via pyruvate / Transcriptional activation of cell cycle inhibitor p21 ...regulation of interleukin-12 production / regulation of dendritic cell differentiation / regulation of T cell anergy / negative regulation of helicase activity / Loss of function of TP53 in cancer due to loss of tetramerization ability / Regulation of TP53 Expression / signal transduction by p53 class mediator / negative regulation of G1 to G0 transition / negative regulation of glucose catabolic process to lactate via pyruvate / Transcriptional activation of cell cycle inhibitor p21 / regulation of intrinsic apoptotic signaling pathway by p53 class mediator / negative regulation of pentose-phosphate shunt / Activation of NOXA and translocation to mitochondria / ATP-dependent DNA/DNA annealing activity / regulation of cell cycle G2/M phase transition / regulation of interleukin-6 production / oligodendrocyte apoptotic process / negative regulation of miRNA processing / intrinsic apoptotic signaling pathway in response to hypoxia / oxidative stress-induced premature senescence / regulation of tissue remodeling / positive regulation of thymocyte apoptotic process / positive regulation of mitochondrial membrane permeability / germ cell nucleus / regulation of fibroblast apoptotic process / bone marrow development / cellular response to actinomycin D / circadian behavior / histone deacetylase regulator activity / positive regulation of programmed necrotic cell death / : / regulation of mitochondrial membrane permeability involved in apoptotic process / RUNX3 regulates CDKN1A transcription / T cell proliferation involved in immune response / TP53 Regulates Transcription of Death Receptors and Ligands / Activation of PUMA and translocation to mitochondria / TP53 regulates transcription of additional cell cycle genes whose exact role in the p53 pathway remain uncertain / mRNA transcription / negative regulation of glial cell proliferation / negative regulation of neuroblast proliferation / regulation of DNA damage response, signal transduction by p53 class mediator / Regulation of TP53 Activity through Association with Co-factors / Formation of Senescence-Associated Heterochromatin Foci (SAHF) / mitochondrial DNA repair / T cell lineage commitment / thymocyte apoptotic process / ER overload response / TP53 Regulates Transcription of Caspase Activators and Caspases / cardiac septum morphogenesis / B cell lineage commitment / entrainment of circadian clock by photoperiod / negative regulation of DNA replication / Zygotic genome activation (ZGA) / negative regulation of mitophagy / TP53 Regulates Transcription of Genes Involved in Cytochrome C Release / necroptotic process / PI5P Regulates TP53 Acetylation / Association of TriC/CCT with target proteins during biosynthesis / positive regulation of release of cytochrome c from mitochondria / negative regulation of telomere maintenance via telomerase / SUMOylation of transcription factors / TP53 regulates transcription of several additional cell death genes whose specific roles in p53-dependent apoptosis remain uncertain / protection from natural killer cell mediated cytotoxicity / rRNA transcription / negative regulation of reactive oxygen species metabolic process / intrinsic apoptotic signaling pathway by p53 class mediator / TFIID-class transcription factor complex binding / Transcriptional Regulation by VENTX / cellular response to UV-C / viral process / neuroblast proliferation / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / TAP binding / replicative senescence / intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / Pyroptosis / positive regulation of RNA polymerase II transcription preinitiation complex assembly / chromosome organization / general transcription initiation factor binding / positive regulation of execution phase of apoptosis / hematopoietic stem cell differentiation / detection of bacterium / embryonic organ development / type II interferon-mediated signaling pathway / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / TP53 Regulates Transcription of Genes Involved in G1 Cell Cycle Arrest / response to X-ray / hematopoietic progenitor cell differentiation / somitogenesis / negative regulation of stem cell proliferation / core promoter sequence-specific DNA binding / glial cell proliferation / negative regulation of fibroblast proliferation / cis-regulatory region sequence-specific DNA binding / cellular response to glucose starvation / mitophagy / Regulation of TP53 Activity through Acetylation / negative regulation of proteolysis / mitotic G1 DNA damage checkpoint signaling
Similarity search - Function
Cellular tumor antigen p53, transactivation domain 2 / Transactivation domain 2 / p53 transactivation domain / P53 transactivation motif / : / p53 family signature. / p53, tetramerisation domain / P53 tetramerisation motif / p53, DNA-binding domain / P53 DNA-binding domain ...Cellular tumor antigen p53, transactivation domain 2 / Transactivation domain 2 / p53 transactivation domain / P53 transactivation motif / : / p53 family signature. / p53, tetramerisation domain / P53 tetramerisation motif / p53, DNA-binding domain / P53 DNA-binding domain / p53 tumour suppressor family / p53-like tetramerisation domain superfamily / p53/RUNT-type transcription factor, DNA-binding domain superfamily / p53-like transcription factor, DNA-binding / 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
NICKEL (II) ION / HLA class I histocompatibility antigen, B alpha chain / Cellular tumor antigen p53 / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 Å
AuthorsTan, K. / Mallis, R.J. / Reinherz, E.L.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI)R01CA265928 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)P01AI143565 United States
National Institutes of Health/Office of the DirectorS10OD030394 United States
CitationJournal: To Be Published
Title: Crystal structure of HLA-B*07:02 with the 9-mer TP53 mutant peptide SPILTIITL
Authors: Tan, K. / Mallis, R.J. / Reinherz, E.L.
History
DepositionNov 27, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 24, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: HLA class I histocompatibility antigen, B alpha chain
B: Beta-2-microglobulin
C: Peptide from Cellular tumor antigen p53
D: HLA class I histocompatibility antigen, B alpha chain
E: Beta-2-microglobulin
F: Peptide from Cellular tumor antigen p53
hetero molecules


Theoretical massNumber of molelcules
Total (without water)92,70546
Polymers90,0806
Non-polymers2,62540
Water2,774154
1
A: HLA class I histocompatibility antigen, B alpha chain
B: Beta-2-microglobulin
C: Peptide from Cellular tumor antigen p53
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,21620
Polymers45,0403
Non-polymers1,17617
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7500 Å2
ΔGint-108 kcal/mol
Surface area19640 Å2
MethodPISA
2
D: HLA class I histocompatibility antigen, B alpha chain
E: Beta-2-microglobulin
F: Peptide from Cellular tumor antigen p53
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,48926
Polymers45,0403
Non-polymers1,44923
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7630 Å2
ΔGint-174 kcal/mol
Surface area18830 Å2
MethodPISA
Unit cell
Length a, b, c (Å)175.432, 64.547, 83.975
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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Components

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Protein , 2 types, 4 molecules ADBE

#1: Protein HLA class I histocompatibility antigen, B alpha chain / Human leukocyte antigen B / HLA-B


Mass: 32190.324 Da / Num. of mol.: 2
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
#2: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 2 / Fragment: UNP residues 21-119
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

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Protein/peptide , 1 types, 2 molecules CF

#3: Protein/peptide Peptide from Cellular tumor antigen p53 / Antigen NY-CO-13 / Phosphoprotein p53 / Tumor suppressor p53


Mass: 970.204 Da / Num. of mol.: 2 / Mutation: R249S variant / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P04637

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Non-polymers , 5 types, 194 molecules

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


Mass: 62.068 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: SO4
#6: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: Cl
#7: Chemical ChemComp-NI / NICKEL (II) ION


Mass: 58.693 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ni
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 154 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.64 Å3/Da / Density % sol: 53.39 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: 0.2 M Ammonium Sulfate, 0.1 M Tris:HCl, 25% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 19-ID / Wavelength: 0.9793 Å
DetectorType: DECTRIS EIGER2 S 16M / Detector: PIXEL / Date: Aug 5, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793 Å / Relative weight: 1
ReflectionResolution: 2.15→44.5 Å / Num. obs: 50271 / % possible obs: 96.1 % / Redundancy: 5.1 % / Biso Wilson estimate: 40.21 Å2 / CC1/2: 0.993 / CC star: 0.998 / Rmerge(I) obs: 0.114 / Rpim(I) all: 0.055 / Rrim(I) all: 0.127 / Χ2: 1.38 / Net I/σ(I): 16
Reflection shellResolution: 2.15→2.19 Å / Redundancy: 4.5 % / Rmerge(I) obs: 1.007 / Mean I/σ(I) obs: 1.22 / Num. unique obs: 2435 / CC1/2: 0.558 / CC star: 0.846 / Rpim(I) all: 0.502 / Χ2: 0.599 / % possible all: 96.2

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.15→44.2 Å / SU ML: 0.3115 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 29.5854
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2671 2564 5.11 %
Rwork0.2325 47636 -
obs0.2343 50200 95.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 50.34 Å2
Refinement stepCycle: LAST / Resolution: 2.15→44.2 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6334 0 134 154 6622
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00196621
X-RAY DIFFRACTIONf_angle_d0.47778971
X-RAY DIFFRACTIONf_chiral_restr0.0394903
X-RAY DIFFRACTIONf_plane_restr0.00391174
X-RAY DIFFRACTIONf_dihedral_angle_d17.03622459
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.15-2.20.33781490.32522421X-RAY DIFFRACTION90.37
2.2-2.240.41111330.31732610X-RAY DIFFRACTION95.38
2.24-2.290.3541430.30462582X-RAY DIFFRACTION94.98
2.29-2.340.29191390.29822571X-RAY DIFFRACTION94.23
2.34-2.40.32851240.29522590X-RAY DIFFRACTION94.07
2.4-2.470.31481380.29182563X-RAY DIFFRACTION93.98
2.47-2.540.32961330.28942561X-RAY DIFFRACTION94.16
2.54-2.620.33621440.30182542X-RAY DIFFRACTION93.49
2.62-2.710.33081330.3032578X-RAY DIFFRACTION93.29
2.71-2.820.37041370.29932543X-RAY DIFFRACTION92.93
2.82-2.950.32111450.27842591X-RAY DIFFRACTION94.15
2.95-3.110.28481480.26452685X-RAY DIFFRACTION97.32
3.11-3.30.28951490.25632731X-RAY DIFFRACTION99.34
3.3-3.560.24571440.23122748X-RAY DIFFRACTION99.72
3.56-3.910.23791440.20432782X-RAY DIFFRACTION99.49
3.91-4.480.24641710.18632737X-RAY DIFFRACTION98.48
4.48-5.640.21341490.17932827X-RAY DIFFRACTION99.23
5.64-44.20.18731410.17882974X-RAY DIFFRACTION99.11
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)
10.919480199777-0.254809063553-1.011442816533.168782032650.3210819659494.74753882188-0.01633502671230.148768036231-0.152758993209-0.0189157477777-0.2400440323110.01568016999110.442046317857-0.1646758665670.2577818345320.222713604277-0.02635078724510.01797019574110.3734958566880.05505078895620.361885514108-24.6006049289-22.238185932-28.3920735668
21.77565515529-0.681487890622-0.2308289178823.456230214130.2631720788893.72918553647-0.00851430528560.004611309867060.07850379058360.330155596035-0.126841479992-0.6512764822120.09105066816870.6292638313280.03757033686110.209848452864-0.0862991746271-0.04368359850020.4214160660530.1372004696290.457650753739-13.3800557331-16.2144317352-20.8821189259
32.85979496041.05434459963-0.5025951704588.17396440693-1.573673329073.61458257590.07586556288340.05560795702910.471567140808-0.577744890220.0738743003355-0.213243050106-0.4258214144880.18978460256-0.1254977921990.414300096233-0.0819228117020.0401262299990.401053340850.02296557707070.299121164639-18.99561063056.71544638775-49.4502376423
44.134318231111.065248134290.5797328747472.921277644950.1064327728982.313727197130.05902955518940.0232258186470.094288634765-0.1905087091580.4351792011070.06177022363440.2050630495880.496658509718-0.3077050937610.2349872607040.113320380658-0.05469154848870.2773057056670.0214065844430.283295785226-32.3673065948-2.01722950399-41.1285040297
51.23089895077-0.75703991091.174209236332.29589348335-1.195910891715.463751721340.1533816321730.0371179996005-0.269544855252-0.0582514619060.1203795305670.4859896913940.0617538697931-0.300903556071-0.1903611872860.2368055822190.0146011740699-0.006677797936530.4080683662110.04948492747840.364231978898-37.2434027966-8.15172545072-38.2724313993
62.8143125628-0.4984076957421.943193439632.71188819127-2.557913328417.00263354404-0.04722246955020.4492149129990.0977446205863-0.2817704886520.06617939931590.242586899356-0.141810381988-0.1145754857450.006928012338820.223146047807-0.0102318580069-0.01444009417560.3352677150780.06293214134660.36011477727-33.9930171606-5.6195618232-41.5661401455
70.605575869316-0.008830574208810.9765872914392.0012002806-1.994831239633.664168207620.155309715003-0.1512111280540.318279929361-0.06078043143610.1088835514850.212138223402-0.319206254158-0.678671889185-0.3148649862850.2738301625840.05914871049590.02567717930850.5005870447690.05622713516990.437835258255-39.63029121841.5314151678-38.1848711534
81.19944837561-1.6964405561-0.8961313496294.41804586512-0.3855410958964.87410864097-0.002838487965050.8769524160570.9366738793750.38510879413-0.12190511185-0.183845862043-0.4720219666490.1984922713760.07544258796960.229236539342-0.0555049915256-0.02385371909370.372798476958-0.004734247911750.417697796104-17.8277705155-24.4948342255-19.5056888982
90.9324138907970.4148665271881.120825468952.24877627630.4997618457061.39255687345-0.2487691872110.1662295962830.203179344877-0.018320452168-0.03729414575170.0548805198952-0.1512473828530.1811328137190.2591202293220.266852039097-0.01380906272810.0833906441860.3746322198630.01044344145740.376769279302-24.58836386523.8060919286-10.8376939913
100.201649034520.2616646726870.2687060921022.892766659590.505116751773.47640778822-0.0633376102841-0.0179059342948-0.0239035095501-0.01172000604010.151141115287-0.2222424375640.05122980111150.406901932384-0.09341054758810.280839646012-0.04121343755410.1010503625640.449509160471-0.01393880107670.336303183432-16.137525866413.9265794369-19.5624035043
111.180775020920.5577753441281.761124701541.789804293970.8936549668823.33633207238-0.1901924789740.5714758593830.164015382518-0.366317202962-0.0234828684273-0.315821709958-0.1662406742011.4243853945-0.08508351577450.412855595077-0.08021765312920.1348620463130.698395607231-0.03972759963610.38010416007-11.063838400320.484202186-25.7780227094
122.599021669230.1805549419572.141699185094.024728987590.8861927715144.950925522250.07291200975710.1507647042880.01164887372220.6317403685040.0711178042419-0.667010581467-0.08199410048390.1432108469190.08697737411370.371776133846-0.0400307444207-0.08572413498250.5829965533070.006475654395310.466093413096-9.4448340237823.62781023030.831235037968
134.27541287383-0.4970781052061.11914597284.266902531020.4852360680982.495375053680.0144747288906-1.10861152304-0.3355658201911.12320055118-0.338810969696-0.005973037277180.5739214674040.06191633022850.183259622350.8607715298810.189155507860.06739741656710.4077607190690.1083171480230.39485811029-20.982721032-5.6528865787110.9126408984
143.68135769307-0.817761894582-0.07630405749373.53646497623-1.391285611212.80152794144-0.208199724547-0.396508793568-0.4649789914940.4572677214870.603055556252-0.2464154376930.5892877257160.172160275034-0.2526432844730.6597189171340.0385171682541-0.002894776966760.3410472856580.05729592002040.411673884851-21.3910250441-5.913705422965.40360563855
152.55456832279-0.94563788006-0.107900567944.1492625095-1.514749243681.98870744279-0.21954628336-0.787250417608-0.496832028660.9854729004790.130130390605-0.8188075325930.5126852328640.162942894426-0.04828218650621.137352679130.252293850841-0.1864054591890.512824239690.03397140302350.705167747162-14.855367162-9.2526025273614.5139917693
162.838192388120.179469767175-0.6312429186293.124443401841.958167915392.12292624437-0.3211354924230.3466357456760.104927193023-0.188544397483-0.1546755528710.2022023044830.832144127506-0.8881036021460.381346501150.3889610166260.01979044907280.08723264773090.3379552367560.06926539245270.394990456454-31.6396366572.20663956025-7.77353618624
172.3784734601-0.3969028993180.06868950519464.00661516264-3.14699368012.49645527419-0.536576605752-0.565973356772-0.2453983778080.368469911467-0.4994506568210.05715281886111.046662475560.2581809005980.5321027625630.826711897578-0.006148794890250.1298239894710.537508496528-0.08805421793460.28438739521-33.46750023325.5107908033217.2614482339
183.401589856170.0809547414598-2.690450193043.112365347291.591624832173.15040330915-0.1560867213180.00508399170616-0.1701746117270.647513684166-0.4274327027570.371459154494-0.364330019276-0.2721164955240.7167931494610.4380410501130.0446173607890.0659715748780.254348893651-0.03766949497720.310053082599-32.74936523926.980832455942.50340048535
198.981208247545.2489999029-5.151076424224.41478320066-3.765850376433.37970119624-0.4518912513971.37131634838-0.140862057890.04035323617060.3066447599940.220653489718-0.349109213-1.275218228490.2061396679620.3745290441340.04401498063830.0752653126990.348593886585-0.03721420709070.48248897311-39.10931193818.29926898739-6.00888415159
204.154339226073.19905515476-3.925044892572.92128939038-2.053101267335.820278918750.148943179929-0.2441558116620.4195681100110.5540219133020.2559349452521.19023529011-0.741934090175-0.928757564346-0.4490018906260.499556074740.04002692018830.2388036621650.6341130120670.1491938801960.569425177914-43.995100598911.80866946533.53275709427
216.028724053151.25932213614-5.74476238482.08098939553-1.137414737129.93570207335-0.128285379049-0.2357128235510.05592863233910.4871699674460.0533056654220.01542615997330.0301404974966-0.2340163893550.07135817868990.3309567141360.06079172853240.05037922322460.313487257941-0.02513618955820.307244262081-29.495067568610.6089834555-3.30629867659
226.086760763832.007267252695.013877376995.71750574869-1.578676210736.200387680090.396434269518-1.79957986369-0.7728298948010.496464214044-0.1036767795220.963987928497-0.0284108887849-0.388368546756-0.4185772990190.6868139455280.02641590648760.2258610516610.814810390046-0.0669849209490.588857012442-44.47926529370.94689305197115.4629488081
231.739782513641.28859627686-1.03243232830.954232976189-0.3472663054165.81789748680.09512631424590.142017149812-0.2700177164610.346225979274-0.04497822979310.650097682290.723069130591-0.7890053195020.02272492253240.425692440922-0.009086202624080.1354771782940.448263085937-0.02659327835680.417522216971-39.6481760403-0.0587156542474-1.00206971614
240.275936150373-0.5306936046930.6050597181761.95744761492-2.118952103092.29444414716-0.1955955814510.159001914164-0.0808197452956-0.3568881081720.0835666873693-0.2377406051990.689892642918-1.24898869250.1142441985240.285691610721-0.129172748880.04621778584030.5277381204760.005377568857850.241707083635-17.856461274426.0440878297-19.8852759105
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 85 )AA1 - 851 - 85
22chain 'A' and (resid 86 through 174 )AA86 - 17486 - 174
33chain 'A' and (resid 175 through 276 )AA175 - 276175 - 276
44chain 'B' and (resid 0 through 19 )BD0 - 191 - 20
55chain 'B' and (resid 20 through 56 )BD20 - 5621 - 57
66chain 'B' and (resid 57 through 77 )BD57 - 7758 - 78
77chain 'B' and (resid 78 through 99 )BD78 - 9979 - 100
88chain 'C' and (resid 1 through 9 )CF1 - 91 - 9
99chain 'D' and (resid 1 through 84 )DG1 - 841 - 84
1010chain 'D' and (resid 85 through 137 )DG85 - 13785 - 137
1111chain 'D' and (resid 138 through 162 )DG138 - 162138 - 162
1212chain 'D' and (resid 163 through 180 )DG163 - 180163 - 180
1313chain 'D' and (resid 181 through 219 )DG181 - 219181 - 219
1414chain 'D' and (resid 220 through 250 )DG220 - 250220 - 250
1515chain 'D' and (resid 251 through 276 )DG251 - 276251 - 276
1616chain 'E' and (resid 0 through 11 )EJ0 - 111 - 12
1717chain 'E' and (resid 12 through 19 )EJ12 - 1913 - 20
1818chain 'E' and (resid 20 through 30 )EJ20 - 3021 - 31
1919chain 'E' and (resid 31 through 41 )EJ31 - 4132 - 42
2020chain 'E' and (resid 42 through 51 )EJ42 - 5143 - 52
2121chain 'E' and (resid 52 through 71 )EJ52 - 7153 - 72
2222chain 'E' and (resid 72 through 77 )EJ72 - 7773 - 78
2323chain 'E' and (resid 78 through 99 )EJ78 - 9979 - 100
2424chain 'F' and (resid 1 through 9 )FK1 - 91 - 9

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