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- PDB-9min: Structure of a designed minibinder to NYESO1-A*02:01 -

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Basic information

Entry
Database: PDB / ID: 9min
TitleStructure of a designed minibinder to NYESO1-A*02:01
Components
  • Beta-2-microglobulin
  • Cancer/testis antigen 1
  • HLA class I antigen
  • designed minibinder KH46
  • nanobody AD01
KeywordsDE NOVO PROTEIN / complex / immune system
Function / homology
Function and homology information


tRNA threonylcarbamoyladenosine metabolic process / antigen processing and presentation of peptide antigen via MHC class I / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway ...tRNA threonylcarbamoyladenosine metabolic process / antigen processing and presentation of peptide antigen via MHC class I / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / MHC class II protein complex / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / response to molecule of bacterial origin / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / cellular response to nicotine / multicellular organismal-level iron ion homeostasis / Modulation by Mtb of host immune system / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Interferon gamma signaling / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / DAP12 signaling / T cell differentiation in thymus / ER-Phagosome pathway / negative regulation of neuron projection development / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / immune response / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / lysosomal membrane / external side of plasma membrane / focal adhesion / Neutrophil degranulation / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / cell surface / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / metal ion binding / identical protein binding / membrane / plasma membrane / cytosol / cytoplasm
Similarity search - Function
CTAG/Pcc1 family / Transcription factor Pcc1 / 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 ...CTAG/Pcc1 family / Transcription factor Pcc1 / 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
Beta-2-microglobulin / Cancer/testis antigen 1 / HLA class I antigen
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å
AuthorsJude, K.M. / Householder, K.D.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)5R01AI103867-08 United States
CitationJournal: Science / Year: 2025
Title: De novo design and structure of a peptide-centric TCR mimic binding module.
Authors: Householder, K.D. / Xiang, X. / Jude, K.M. / Deng, A. / Obenaus, M. / Zhao, Y. / Wilson, S.C. / Chen, X. / Wang, N. / Garcia, K.C.
History
DepositionDec 13, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 6, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class I antigen
B: Beta-2-microglobulin
C: Cancer/testis antigen 1
D: designed minibinder KH46
E: nanobody AD01
F: HLA class I antigen
G: Beta-2-microglobulin
H: Cancer/testis antigen 1
I: designed minibinder KH46
J: nanobody AD01
hetero molecules


Theoretical massNumber of molelcules
Total (without water)148,05226
Polymers146,57910
Non-polymers1,47416
Water4,864270
1
A: HLA class I antigen
B: Beta-2-microglobulin
C: Cancer/testis antigen 1
D: designed minibinder KH46
E: nanobody AD01
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,21015
Polymers73,2895
Non-polymers92110
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
F: HLA class I antigen
G: Beta-2-microglobulin
H: Cancer/testis antigen 1
I: designed minibinder KH46
J: nanobody AD01
hetero molecules


Theoretical massNumber of molelcules
Total (without water)73,84211
Polymers73,2895
Non-polymers5536
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)95.452, 98.536, 155.743
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 through 275 or resid 302))
d_2ens_1(chain "F" and (resid 1 through 275 or resid 301))
d_1ens_2(chain "B" and (resid -1 through 8 or resid 10 through 99 or resid 101 through 104))
d_2ens_2(chain "G" and (resid -1 through 8 or resid 10 through 99 or resid 101 through 103))
d_1ens_3chain "C"
d_2ens_3chain "H"
d_1ens_4(chain "D" and resid 1 through 127)
d_2ens_4chain "I"
d_1ens_5chain "E"
d_2ens_5chain "J"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1GLYGLYGLUGLUAA1 - 2753 - 277
d_12ens_1GOLGOLGOLGOLAL302
d_21ens_1GLYGLYGLUGLUFF1 - 2753 - 277
d_22ens_1GOLGOLGOLGOLFU301
d_11ens_2METMETGLNGLNBB-1 - 81 - 10
d_12ens_2TYRTYRMETMETBB10 - 9912 - 101
d_13ens_2GOLGOLGOLGOLBP101
d_14ens_2GOLGOLGOLGOLBQ102
d_15ens_2GOLGOLGOLGOLBR103
d_21ens_2METMETGLNGLNGG-1 - 81 - 10
d_22ens_2TYRTYRMETMETGG10 - 9912 - 101
d_23ens_2GOLGOLGOLGOLFV302
d_24ens_2GOLGOLGOLGOLFW303
d_25ens_2GOLGOLGOLGOLGY202
d_11ens_3SERSERVALVALCC1 - 91 - 9
d_21ens_3SERSERVALVALHH1 - 91 - 9
d_11ens_4ALAALAVALVALDD1 - 1273 - 129
d_21ens_4ALAALAVALVALII1 - 1273 - 129
d_11ens_5GLUGLUSERSEREE3 - 1181 - 116
d_12ens_5GOLGOLGOLGOLGX201
d_13ens_5GOLGOLGOLGOLET201
d_21ens_5GLUGLUSERSERJJ3 - 1181 - 116
d_22ens_5GOLGOLGOLGOLBS104
d_23ens_5GOLGOLGOLGOLJZ201

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4
ens_5

NCS oper:
IDCodeMatrixVector
1given(-0.999970420109, 0.00171159741546, 0.00749862262688), (-0.00170117102528, -0.999997577762, 0.00139659845029), (0.00750099487773, 0.00138380069952, 0.999970909663)-48.7802421576, -0.0373567204134, 0.249597190679
2given(-0.999978731753, 0.00514857899498, 0.00400352034103), (-0.00517632724498, -0.99996243857, -0.00695176849739), (0.00396757823382, -0.00697234417688, 0.999967821852)-48.2700573952, -0.0427127374799, -0.113111871658
3given(-0.999986949881, -0.00452096189687, 0.00237927944692), (0.00451423731622, -0.999985822871, -0.00282413137166), (0.00239201350589, -0.00281335388435, 0.999993181632)-48.8884102967, 0.20138276409, 0.000421794862135
4given(-0.999602668734, 0.0280320170214, -0.00295138650259), (-0.0280458437429, -0.999595339995, 0.00475256868024), (-0.00281696810837, 0.00483345446079, 0.999984351082)-47.7207032456, -0.81189838781, -0.0041477489032
5given(-0.999958842318, 0.00796878921633, -0.00433728809975), (-0.00798285270838, -0.999962904165, 0.00323486586745), (-0.00431134924018, 0.00326935665993, 0.99998536168)-48.7315429383, 0.0702544256329, -0.0245903467338

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Components

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Protein , 3 types, 6 molecules AFBGDI

#1: Protein HLA class I antigen / HLA class I histocompatibility antigen A alpha chain / MHC class I antigen / Major ...HLA class I histocompatibility antigen A alpha chain / MHC class I antigen / Major histocompatibility complex / class I / A


Mass: 32139.562 Da / Num. of mol.: 2 / Mutation: insertion of MG at N-terminus - cloning artifact
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A / Production host: Escherichia coli (E. coli) / References: UniProt: Q53Z42
#2: Protein Beta-2-microglobulin


Mass: 11936.408 Da / Num. of mol.: 2 / Mutation: insertion of MG at N-terminus - cloning artifact
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli (E. coli) / References: UniProt: P61769
#4: Protein designed minibinder KH46


Mass: 15361.038 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)

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Protein/peptide / Antibody , 2 types, 4 molecules CHEJ

#3: Protein/peptide Cancer/testis antigen 1 / Autoimmunogenic cancer/testis antigen NY-ESO-1 / Cancer/testis antigen 6.1 / CT6.1 / L antigen ...Autoimmunogenic cancer/testis antigen NY-ESO-1 / Cancer/testis antigen 6.1 / CT6.1 / L antigen family member 2 / LAGE-2


Mass: 1090.335 Da / Num. of mol.: 2 / Mutation: C9V / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P78358
#5: Antibody nanobody AD01


Mass: 12762.066 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Cell line (production host): expi 293 / Production host: Homo sapiens (human)

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Non-polymers , 2 types, 286 molecules

#6: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C3H8O3
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 270 / 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: 2.5 Å3/Da / Density % sol: 50.77 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 0.2 M ammonium acetate 0.1 M bis-tris pH 5.5 25% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1 Å
DetectorType: DECTRIS EIGER2 S 9M / Detector: PIXEL / Date: Nov 7, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.05→49.27 Å / Num. obs: 92563 / % possible obs: 99.17 % / Redundancy: 23.3 % / Biso Wilson estimate: 33.16 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.3252 / Rpim(I) all: 0.0686 / Rrim(I) all: 0.3326 / Net I/σ(I): 8.49
Reflection shellResolution: 2.05→2.12 Å / Redundancy: 24 % / Rmerge(I) obs: 3.471 / Mean I/σ(I) obs: 1.45 / Num. unique obs: 9127 / CC1/2: 0.349 / Rpim(I) all: 0.7168 / Rrim(I) all: 3.545 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.05→49.27 Å / SU ML: 0.3163 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 33.4927
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2673 1384 1.51 %
Rwork0.2548 90511 -
obs0.255 91895 99.17 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 60.86 Å2
Refinement stepCycle: LAST / Resolution: 2.05→49.27 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10112 0 96 270 10478
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002510422
X-RAY DIFFRACTIONf_angle_d0.521414062
X-RAY DIFFRACTIONf_chiral_restr0.03841488
X-RAY DIFFRACTIONf_plane_restr0.0051794
X-RAY DIFFRACTIONf_dihedral_angle_d13.9153870
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS1.2658903694
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS3.83438713109
ens_3d_2CCX-RAY DIFFRACTIONTorsion NCS0.70689293435
ens_4d_2DDX-RAY DIFFRACTIONTorsion NCS0.51605929481
ens_5d_2EEX-RAY DIFFRACTIONTorsion NCS1.32035374501
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.05-2.120.41291330.39618994X-RAY DIFFRACTION100
2.12-2.210.36131430.36489026X-RAY DIFFRACTION100
2.21-2.310.35361380.33939008X-RAY DIFFRACTION99.81
2.31-2.430.38611340.32049004X-RAY DIFFRACTION99.6
2.43-2.580.30171380.29559066X-RAY DIFFRACTION99.78
2.58-2.780.27081380.27139059X-RAY DIFFRACTION99.9
2.78-3.060.28031420.24659066X-RAY DIFFRACTION99.48
3.06-3.510.23131420.2269042X-RAY DIFFRACTION98.74
3.51-4.420.23851410.2069043X-RAY DIFFRACTION97.96
4.42-49.270.21681350.22159203X-RAY DIFFRACTION96.59
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.243966089340.2634793147370.5383966512593.52106107284-0.6182129999092.14346244738-0.0583771186602-0.2084672308280.1592185500860.4858620072790.04566095269880.0427657967682-0.14553115549-0.1500373356770.003715736782240.319406482440.03904384521870.03560360229140.270400743839-0.08880727305310.343683006051-21.2692372903-24.904538470512.0405661874
22.12288971117-1.15872997248-0.1018199764612.995806379631.605144838674.64489992699-0.1967683144730.169604530641-0.463945665973-1.059345929610.0759901381219-0.1777060781051.04526641747-0.05820956559670.006418067490970.801288646984-0.05799263151770.1205090419710.301859661368-0.1051552202730.486059174073-24.4805902758-35.9471425839-21.4915116628
31.47088378897-0.5378953144311.467747450293.21807842693-1.650390227022.97413063642-0.07002134960610.005177261201640.0354408359204-0.0942538147063-0.116333323142-0.2761579573640.0818055888355-0.03429443095720.1938244682570.230607647265-0.002129780953490.07576662128240.291582408411-0.1127769980210.299760320174-18.9649767168-15.9016273346-13.1222550803
41.21063077464-0.4741554969680.8828477280220.289730990443-0.08102656458461.33635543522-0.12910446221-0.0087147475730.1377635896690.494671626277-0.43822105702-0.0578526704339-0.9747249482170.1112052021430.2681381623512.25046172827-0.7456403498420.04564454631471.98489325722-0.02441491859180.443086648527-14.98582452-0.65062956154627.0430219564
51.46452289452-0.8954327272590.8010007714121.334795781151.38649820184.781926127050.12388240882-1.340467923820.5185729433090.4487429889090.04153108840070.62343995329-0.6405187823150.01917800308290.4611410504432.156104954380.02836155979880.737782557261.21400986646-0.3254951788080.695516288578-33.2848341866-18.082764910833.0154001963
66.637612368470.9832694233642.533228565943.522176337770.1907697200625.122310910950.153911618649-1.104854650490.7150238873351.04315017707-1.51360157349-0.686424171306-1.483614036781.608904161251.116475436041.9662363569-0.846117698446-0.1918683950031.66552601630.2285808419280.896544855673-12.3609915283-14.314077518629.7928212534
73.18763507472-0.6295000257462.048387911771.594912698992.243519425636.233508739760.519664463681-0.0651226713701-0.4957592593551.67375157609-0.0091518653216-0.209820431008-0.8265019023240.0847377069184-0.3745176728731.44399362736-0.2085287205320.06396156734791.222075382550.08629790772930.407440628446-26.5460695379-28.561342025332.9604387598
80.9361034195482.18010292181-1.659459009915.16682339558-3.866258935732.91482161603-0.1912793429690.686911550142-0.1531363690090.221108821592-0.7175100671850.336593165581-1.161639017680.7322504597840.7220042104441.75264384696-0.3083668950960.2834991182021.41568154727-0.08078455144121.06045615277-12.2894611722-5.2244973946537.3025179738
95.120912428641.070934108661.937518296983.29266137859-0.7156523280374.9750179118-0.02561362920120.2632875972250.445132212385-0.01981592538340.132865578845-0.760531280711-0.1420046236340.820015814869-0.07083174188590.260131285823-0.0345490039803-0.00946331555430.367612807338-0.1161241052030.6938850343562.359077891386.15796214975-16.3858407124
101.02684187106-0.420065734882-0.04766129136910.292947021185-0.03083777961450.0209402952069-0.2207931432742.117880569650.835042424665-1.65187034071-0.6936917664070.233235890104-0.543088726123-0.4670055306890.4895659851440.612836123774-0.00648060634904-0.1295996105080.947071453279-0.09564266077020.562269900709-7.580266910780.917437312729-32.2681054999
113.99047170833-1.53438558643-0.2071749130712.44706369277-0.8927242618661.22690970492-0.0877363272368-0.194237023661-0.07132975562510.1408650876540.0120786498472-0.316157728166-0.06938789279660.1516041615580.06487077812420.283824643059-0.03757018502960.001268165412070.215215842754-0.07995154862170.369551267227-5.073373816471.48826943396-14.049664028
124.449995465460.391772163299-0.3262499166183.749714191690.3889393254881.983953717320.00765570180437-0.383956244008-0.04289576678140.259562340706-0.0472852083517-0.0280726314843-0.06508360318220.04156265208110.01319390606280.2187683632040.03056155794510.01615518801470.294860428626-0.07870183910370.294659749768-27.568892526124.895275845212.1300581802
132.237926708220.15526110550.5084895968424.20708574283-0.8277451431153.4952044145-0.1674355880340.2835685437670.272527428984-1.486919797040.1663302363750.238543090615-0.7559932646260.1387366368640.1307704702371.00603936768-0.04955863954690.04280969654490.292487860734-0.06320838985470.522886667745-24.362868383235.8453393899-21.3574654817
143.48525141135-0.151104193196-0.7986296513051.541353728850.6928982323652.927641821190.01409112975550.05464162343340.070131245518-0.288782528748-0.04514400323720.119314212924-0.256131352978-0.07326042498440.04547854671210.285168109892-0.00459110201126-0.02764761283990.188477575033-0.08954153736620.397048973571-29.719908152115.8479631259-13.115845145
150.946255916431-0.749025489109-1.171348673471.95491789165-1.176477586464.479689927250.404609314-1.05314324431-0.6952422163060.562940383977-0.293709710594-0.9822251249341.40188025805-0.1855930635450.02290572429451.67762347090.0690660319432-0.4032442825121.02619352060.1061771199550.548100529199-18.45204753315.405800468531.6532204531
162.630464974411.51541402463-0.9315338769160.97643023347-0.9236491827811.76876216548-0.233922879727-0.369005740658-0.6470155567880.894544820191-0.961892959681.092163123940.712035187022-0.7897310199070.5188257551691.91379638203-1.138792709560.4230067568481.18581777433-0.2002397156570.949954673405-37.599775471313.985375466430.2331590625
171.9060912957-1.756529610311.104043277274.129914561521.628661170963.727527071950.583003560515-1.055075305290.4059268872151.59250794158-0.08573918271370.4722479685240.008821641273080.837908032152-0.2470168995460.95042247447-0.254649403028-0.02369306046730.773400671422-0.1430267585250.267755966256-23.87751927325.417691437433.5850985545
184.381266444140.744836855586-1.466489072365.00597922047-0.8295445434265.47941764374-0.1358801574490.312410197491-0.352529789738-0.2801828789730.211351568210.6589355047650.631740768529-0.65776184744-0.05250229867960.357066723405-0.0450404621438-0.009257239282380.274150129368-0.1462790769640.468386478573-50.8049402866-5.77835867225-17.4183043433
192.53286242588-0.4929971221421.200736334426.518378639032.638900260491.86180160110.2605718813390.886563475473-0.429497504981-1.66680028395-0.2340684072390.478780659670.3845911542-0.6159042402020.07401836598330.66102552660.0323520626974-0.0801817467631.01384116384-0.204901611612-0.0328363283293-38.0372054585-0.429715227009-29.9849438293
203.923989135750.560217481508-0.8712954739083.30250168124-0.5958613976981.54503311194-0.14062465703-0.0531258435212-0.0088527306343-0.06118392715850.004490360277340.482117539849-0.176665883084-0.09576843182060.09707641161170.2639410617190.0197439965161-0.007001332058920.310943073673-0.1098880355340.294073993243-43.8014730066-1.57233724352-13.7969822333
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain A and resid 1:181)AA1 - 1811 - 181
22(chain A and resid 182:275)AA182 - 275182 - 275
33(chain B and resid 0:99)BG0 - 992 - 101
44(chain D and resid 1:8)DL1 - 81 - 8
55(chain D and resid 9:48)DL9 - 489 - 48
66(chain D and resid 49:74)DL49 - 7449 - 74
77(chain D and resid 75:119)DL75 - 11975 - 119
88(chain D and resid 120:128)DL120 - 128120 - 128
99(chain E and resid 3:26)EM3 - 261 - 24
1010(chain E and resid 27:32)EM27 - 3225 - 30
1111(chain E and resid 33:118)EM33 - 11831 - 116
1212(chain F and resid 1:180)FP1 - 1801 - 180
1313(chain F and resid 181:276)FP181 - 276181 - 276
1414(chain G and resid 0:99)GR0 - 992 - 101
1515(chain I and resid 1:52)IW1 - 521 - 52
1616(chain I and resid 53:75)IW53 - 7553 - 75
1717(chain I and resid 76:127)IW76 - 12776 - 127
1818(chain J and resid 3:28)JX3 - 281 - 26
1919(chain J and resid 29:34)JX29 - 3427 - 32
2020(chain J and resid 35:118)JX35 - 11833 - 116

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