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- PDB-7stg: Consequences of HLA single chain trimer mutations on peptide pres... -

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Basic information

Entry
Database: PDB / ID: 7stg
TitleConsequences of HLA single chain trimer mutations on peptide presentation and binding affinity
Components
  • RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
  • VHH
KeywordsIMMUNE SYSTEM/VIRAL PROTEIN / HLA / SCT / VHH / HPV / IMMUNE SYSTEM / IMMUNE SYSTEM-VIRAL PROTEIN complex
Function / homology
Function and homology information


antigen processing and presentation of peptide antigen via MHC class I / negative regulation of double-strand break repair via homologous recombination / regulation of DNA repair / 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 / replication fork / lumenal side of endoplasmic reticulum membrane / ER to Golgi transport vesicle membrane / MHC class I protein complex / positive regulation of T cell mediated cytotoxicity ...antigen processing and presentation of peptide antigen via MHC class I / negative regulation of double-strand break repair via homologous recombination / regulation of DNA repair / 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 / replication fork / lumenal side of endoplasmic reticulum membrane / ER to Golgi transport vesicle membrane / MHC class I protein complex / positive regulation of T cell mediated cytotoxicity / recycling endosome membrane / phagocytic vesicle membrane / peptide antigen binding / single-stranded DNA binding / early endosome membrane / nuclear speck / immune response / external side of plasma membrane / signaling receptor binding / RNA binding / extracellular space / extracellular region
Similarity search - Function
RPA-related protein RADX / Family of unknown function (DUF5521) / 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 ...RPA-related protein RADX / Family of unknown function (DUF5521) / 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 / Nucleic acid-binding, OB-fold / Immunoglobulin-like fold
Similarity search - Domain/homology
MHC class I antigen / Beta-2-microglobulin / RPA-related protein RADX
Similarity search - Component
Biological speciesHomo sapiens (human)
Pongo pygmaeus (Bornean orangutan)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsFinton, K.A.K. / Rupert, P.B.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI) United States
CitationJournal: Front Immunol / Year: 2023
Title: Effects of HLA single chain trimer design on peptide presentation and stability.
Authors: Finton, K.A.K. / Rupert, P.B. / Friend, D.J. / Dinca, A. / Lovelace, E.S. / Buerger, M. / Rusnac, D.V. / Foote-McNabb, U. / Chour, W. / Heath, J.R. / Campbell, J.S. / Pierce, R.H. / Strong, R.K.
History
DepositionNov 12, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 23, 2022Provider: repository / Type: Initial release
Revision 1.1May 31, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
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: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
B: VHH
C: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
D: VHH
E: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
F: VHH
G: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
H: VHH
I: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
J: VHH
K: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
L: VHH
M: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
N: VHH
O: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
P: VHH
Q: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
R: VHH
S: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
T: VHH
U: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
V: VHH
W: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
X: VHH
Y: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
Z: VHH
a: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
b: VHH
c: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
d: VHH
e: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
f: VHH


Theoretical massNumber of molelcules
Total (without water)960,96132
Polymers960,96132
Non-polymers00
Water1,874104
1
A: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
B: VHH


  • defined by author
  • Evidence: surface plasmon resonance
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
D: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
F: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
H: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
I: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
J: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
K: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
L: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
M: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
N: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
O: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
P: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
Q: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
R: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
S: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
T: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
U: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
V: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
W: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
X: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
13
Y: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
Z: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
14
a: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
b: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
15
c: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
d: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
16
e: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera
f: VHH


  • defined by author
  • 60.1 kDa, 2 polymers
Theoretical massNumber of molelcules
Total (without water)60,0602
Polymers60,0602
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)117.593, 118.088, 273.727
Angle α, β, γ (deg.)102.435, 102.405, 89.875
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

#1: Protein
RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera / RPA-related and RAD51-antagonist / X-chromosome


Mass: 47523.223 Da / Num. of mol.: 16 / Mutation: Y108C, A163C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human), (gene. exp.) Pongo pygmaeus (Bornean orangutan)
Gene: RADX, CXorf57, B2M, HLA-A / Production host: Homo sapiens (human)
References: UniProt: Q6NSI4, UniProt: P16213, UniProt: A0A678ZGP6
#2: Antibody
VHH


Mass: 12536.822 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Homo sapiens (human)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 104 / Source method: isolated from a natural source / Formula: H2O

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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: 3.77 Å3/Da / Density % sol: 70.48 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / Details: 100 mM Tris, pH 8.0, 200 mM Li2SO4, 1.1 M AmSO4

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Data collection

DiffractionMean temperature: 93 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 13, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.7→50 Å / Num. obs: 362304 / % possible obs: 94.7 % / Redundancy: 1.7 % / Biso Wilson estimate: 53.4 Å2 / CC1/2: 0.993 / Net I/σ(I): 13.7
Reflection shellResolution: 2.7→2.8 Å / Num. unique obs: 32198 / CC1/2: 0.739

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Processing

SoftwareName: PHENIX / Version: 1.19.1_4122 / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7SRK
Resolution: 2.7→48.86 Å / SU ML: 0.3751 / Cross valid method: FREE R-VALUE / σ(F): 2.01 / Phase error: 27.9226
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.276 18553 5.12 %
Rwork0.2418 343621 -
obs0.2436 362174 94.34 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 66.72 Å2
Refinement stepCycle: LAST / Resolution: 2.7→48.86 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms56802 0 0 104 56906
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002658258
X-RAY DIFFRACTIONf_angle_d0.519379401
X-RAY DIFFRACTIONf_chiral_restr0.04068510
X-RAY DIFFRACTIONf_plane_restr0.004510369
X-RAY DIFFRACTIONf_dihedral_angle_d4.6178283
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.730.38255340.32659435X-RAY DIFFRACTION76.86
2.73-2.770.32745520.297810501X-RAY DIFFRACTION86.85
2.77-2.80.32035470.296210630X-RAY DIFFRACTION87.12
2.8-2.840.31825030.291510650X-RAY DIFFRACTION87.92
2.84-2.870.31826400.283210680X-RAY DIFFRACTION87.87
2.87-2.910.34417560.291510652X-RAY DIFFRACTION89.34
2.91-2.950.32326050.288210880X-RAY DIFFRACTION89.87
2.95-30.33866200.297510976X-RAY DIFFRACTION90.84
3-3.040.3615130.299211104X-RAY DIFFRACTION90.84
3.04-3.090.32695830.290711247X-RAY DIFFRACTION92.01
3.09-3.150.3326110.274511527X-RAY DIFFRACTION94.85
3.15-3.210.30475250.258811681X-RAY DIFFRACTION95.46
3.21-3.270.30076090.259811801X-RAY DIFFRACTION96.25
3.27-3.330.30065530.257611633X-RAY DIFFRACTION96.24
3.33-3.410.2767950.264911692X-RAY DIFFRACTION97.52
3.41-3.490.31316120.261111890X-RAY DIFFRACTION97.61
3.49-3.570.25766850.23511837X-RAY DIFFRACTION98.05
3.57-3.670.26797380.235111785X-RAY DIFFRACTION98.14
3.67-3.780.26936790.227711880X-RAY DIFFRACTION97.7
3.78-3.90.24486560.222611846X-RAY DIFFRACTION97.86
3.9-4.040.26886720.22211801X-RAY DIFFRACTION97.85
4.04-4.20.24376050.209711987X-RAY DIFFRACTION97.98
4.2-4.390.23785860.206711921X-RAY DIFFRACTION97.16
4.39-4.620.23345340.201211832X-RAY DIFFRACTION97.45
4.62-4.910.25156200.206312046X-RAY DIFFRACTION98.26
4.91-5.290.25886400.215211896X-RAY DIFFRACTION98.89
5.29-5.820.2645450.23512095X-RAY DIFFRACTION98.31
5.82-6.660.297300.25711892X-RAY DIFFRACTION98.68
6.66-8.390.23545760.243212106X-RAY DIFFRACTION99.13
8.39-48.860.27917290.254411718X-RAY DIFFRACTION97.49
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)
12.492235092051.07337479148-0.07790232712833.21072515076-0.4256643191761.242015734030.35768777364-0.430971663204-0.3170554988440.608017076262-0.580429598084-0.712787766572-0.4802344660120.239111128674-0.2831034756520.587529081096-0.282393353061-0.28374227550.348119382247-0.01361215318570.39720497793-86.5011422051-64.9066445525-114.81297027
22.221224509680.979572879997-0.7507768306553.6279120778-0.1616531019712.502264841480.176760814873-0.228441143473-0.2254251067270.561271545457-0.235641706351-0.533740460047-0.153878399448-0.03656541422540.03968574844780.34191048085-0.0850777391175-0.128515378290.3388480949640.08024042296640.371555020143-90.4561216961-68.067793691-118.184519184
32.225349214841.13208233976-0.08865351107355.242335331460.8771772152832.623409417140.001669642320760.125831545541-0.222546659077-0.511784380148-0.1917046714240.164047572133-0.0851266296949-0.32914277590.1882320318590.308784597373-0.007280540622140.02508232441310.4153127424210.00526182405540.464534582015-87.6600451626-54.4041799284-137.110374582
41.551929128140.546677775577-0.5806895277823.929959466090.3155045005261.358500266-0.1089640168090.170498603245-0.405898893692-0.673101547692-0.00928555790987-0.7976736506350.1609119277010.1400225350170.001864212763740.4276057170950.01720576172680.2142138147750.3978580943420.0009409892105770.645725915592-73.9398054252-55.5197708764-141.267033848
51.223073844750.521329401824-0.4544659325960.270449710936-0.1182699403951.805736316830.121866614887-0.396772643238-0.3967790530351.16084238351-0.75996951198-1.653898660710.1660680844851.22834056283-0.3179847257760.565195405836-0.545320171351-0.8336222875370.8613588078080.5245797413541.34005387155-69.9562723079-61.6123741453-109.790553472
65.478499860550.08272130980410.6576805265484.450560705990.1069424765055.960420876870.355757852952-0.336608870068-0.6486653080210.33832466097-0.586900297748-0.002597227545390.5878085958110.01702502856850.1997139028570.35026041607-0.102142363630.008513739700220.413967727490.04988461610030.483042129996-109.74379766-89.8892985697-122.425305451
75.98953677213-1.20601876758-1.259708431444.548424674782.015770182464.97797851430.346771398074-0.282107187739-0.2141853990230.211690521664-0.24558331246-0.1928700485570.1199758461950.315915450705-0.1338083327770.372738337802-0.105988455926-0.09266584286660.3060900942740.060180148530.318509605595-102.616957236-80.0136832643-119.876163345
87.91013867045-0.8449881249771.202175805989.28368488861-0.7354568593012.043727328550.28713749386-0.3582966559310.5458672037130.172327929124-0.169131028945-0.0232072430897-0.5691903113710.0754565184609-0.1221210300280.335747812456-0.0555678792141-0.06201472652730.240434059085-0.02194167622480.303980610144-111.420395496-77.8550314117-122.929193809
95.41627328613-0.637425371433-0.9256249308664.716319675131.981243812011.599921392880.30843098581-0.174468717155-0.132361129449-0.118572747774-0.9025521179670.0947542084862-0.301301231795-0.1156417191290.2967632985530.334031435659-0.0295492224958-0.1250046663520.2257260948610.004663439363260.332819849275-111.250613306-83.808909035-127.607626156
102.34272319360.7730109579982.429767549093.86862698423.802962059447.250683819830.419574693108-0.371142172716-0.5071241191420.732339230632-0.164094502112-0.2703628661790.4199661168520.321601758356-0.2026159135050.349120718107-0.165533102264-0.09823294581630.4122671545170.07734300542070.341515704415-99.75113174-83.8703683693-116.635879149
112.20666330512-2.860168957332.751312109863.7374884117-3.596106294613.459147184530.06511130792420.158301327107-0.504210684831-0.366953874822-0.06387744576770.7254818746430.696759025078-0.02859849347320.04280288315880.505502288177-0.0287249182423-0.06602058977120.3513707555980.05167613277970.408576949272-105.972572126-91.8089881779-131.750341959
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1949.424806555171.00600484744-2.260862404826.04372277815-4.099000274473.05412653039-0.2594711356981.11517264587-0.402215813775-0.643067465815-0.346542043133-0.313340212278-0.281580879446-0.6329650776870.5061633193840.5659827948330.05928656096880.0548629097310.561689575279-0.1020643008460.440718039029-113.33212422-24.8456729048-272.294034928
1953.620885138290.0698682115866-0.3248483050374.188542728270.9335500949921.372982221650.4707175995230.1482194960780.0221591739495-0.462848744802-0.5941167907810.2483250221010.2396598958160.4039040587480.1008073288670.5089350304840.199835966096-0.06956205108960.630417225295-0.02382086069370.359488282956-102.445961675-21.3220960979-269.269721507
1962.15019893810.525519524575-1.564116518275.008222937591.889106742982.200257358310.4829765530220.451695839721-0.174770539965-0.686063613687-1.13908824623-0.3255244751270.7562121087680.6217366894070.2488470717120.873447001590.517264288347-0.01550676000130.9495907797130.1301900171070.471694567368-143.793743702-98.4680845527-276.631778222
1970.3695628138460.760559603910.204048857691.80239251330.5167813609320.3573468343720.5197404597050.141274394392-0.0384978728654-0.622894336353-1.217193516990.03181293235420.289839077360.1862200964110.05175175819820.6720496338710.5372644627440.08319679052951.111901172970.1708677929340.450575263059-148.099168867-95.329701878-273.125554144
1981.29267815317-1.401151955590.7602410408096.736744545820.3778904999260.8865589054970.472793979090.172200037141-0.134448883430.0814625715939-0.9707761357950.4554775780590.183172772169-0.0006071072584370.4421115494510.4420799610880.04699955732030.04995388564020.8815652946130.0480709816380.451184757771-146.748738464-109.468461314-254.767531942
1992.01721570796-2.105199310140.6344155538356.84486914386-0.6701358854490.349133454229-0.147188646221-0.1362951651480.3935257401270.740955238425-0.263379368403-0.840062019405-0.0196117630669-0.000548590704810.3583258218070.596932506388-0.0200296690748-0.09966727853220.6751251209610.1723817104350.581911963685-133.628669291-108.133922745-249.041980812
2000.949864565141-0.1378856537430.7501338673990.635751663059-0.2796979796620.6268010696780.3468098557670.3696337220250.0924571457082-0.113521618659-0.500530399223-0.6851407163760.2730385717530.358740835035-0.06002463866151.032452971461.084067628450.2978323302731.582579364620.8736255476010.759892479206-130.28728344-105.628526353-279.122684299
2015.496476895650.902791156485-2.117326502349.05410742596-0.6802209215044.875831451790.749804542953-0.2184045691930.256698411963-0.175948017466-0.22359885860.7248955926280.396254227280.654073139481-0.4769249348930.4411108473870.089358256328-0.05096769107110.8030979097040.005148133837410.409946310304-167.465114983-73.3480123945-272.099857811
2020.677142705150.242349949239-0.2224016174493.645288820073.548308843273.772957553090.5533641263380.7002531560270.530055228925-1.45722428879-0.618721048096-0.123836910619-0.933224620006-0.5933929747060.0927188220921.438589410650.945735260803-0.1142607911071.07532388364-0.3480278458980.8968399482-161.326283761-81.8278726282-288.450327333
2035.745457701641.602823305890.009540404773266.50546518101-0.4816251548693.044182045250.5489268285570.05131868947720.155723431967-0.392145475126-1.021264607130.435844142157-0.521313208338-0.2698911614110.3445243364180.4009909405760.193073189242-0.01774139389740.779622381048-0.1729554753360.438126504063-160.20005264-83.5702054631-270.138308754
2048.64863326256-3.876332719080.6597788371994.712260547543.564395810056.214759372160.846626278886-0.0856259392985-0.302543969931-0.277059013917-0.3653869113641.050570047840.278426418349-0.633179767018-0.4741100680760.465125455822-0.0532666899489-0.03661413312440.781611100898-0.3692749825651.00190091385-169.33544733-85.2915523407-270.994872833
2053.092194867760.518825228793-0.2770778296644.62639688329-1.081004608430.2614003192190.9509034412620.0626386320494-0.0165657826205-0.639145891966-0.6843961434990.266090205310.03030018461360.223103918712-0.3059244828670.4889987375030.279110472958-0.06582198052110.917886419244-0.1464783173030.491351560616-162.400749987-79.3016902986-271.764574366
2061.73911054863-0.07458200827681.342219281361.64193583370.4766175004085.868432187970.154751883569-0.5424512665280.1242062959191.38601371815-0.6987595698191.11984041150.8797696555720.1723894633880.4120005275090.687885816049-0.1358508764370.1551178316540.813977766469-0.2951931999220.673380904879-165.393225713-71.4766208388-261.705194401
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 25 through 52 )AA25 - 521 - 28
22chain 'A' and (resid 53 through 144 )AA53 - 14429 - 101
33chain 'A' and (resid 145 through 229 )AA145 - 229102 - 186
44chain 'A' and (resid 230 through 319 )AA230 - 319187 - 276
55chain 'A' and (resid 320 through 417 )AA320 - 417277 - 369
66chain 'B' and (resid 3 through 28 )BB3 - 281 - 26
77chain 'B' and (resid 29 through 60 )BB29 - 6027 - 58
88chain 'B' and (resid 61 through 77 )BB61 - 7759 - 75
99chain 'B' and (resid 78 through 91 )BB78 - 9176 - 89
1010chain 'B' and (resid 92 through 110 )BB92 - 11090 - 108
1111chain 'B' and (resid 111 through 117 )BB111 - 117109 - 115
1212chain 'C' and (resid 25 through 52 )CC25 - 521 - 28
1313chain 'C' and (resid 53 through 94 )CC53 - 9429 - 70
1414chain 'C' and (resid 95 through 144 )CC95 - 14471 - 101
1515chain 'C' and (resid 145 through 229 )CC145 - 229102 - 186
1616chain 'C' and (resid 230 through 274 )CC230 - 274187 - 231
1717chain 'C' and (resid 275 through 319 )CC275 - 319232 - 276
1818chain 'C' and (resid 320 through 384 )CC320 - 384277 - 328
1919chain 'C' and (resid 385 through 416 )CC385 - 416329 - 360
2020chain 'D' and (resid 3 through 14 )DD3 - 141 - 12
2121chain 'D' and (resid 15 through 28 )DD15 - 2813 - 26
2222chain 'D' and (resid 29 through 34 )DD29 - 3427 - 32
2323chain 'D' and (resid 35 through 50 )DD35 - 5033 - 48
2424chain 'D' and (resid 51 through 60 )DD51 - 6049 - 58
2525chain 'D' and (resid 61 through 67 )DD61 - 6759 - 65
2626chain 'D' and (resid 68 through 77 )DD68 - 7766 - 75
2727chain 'D' and (resid 78 through 85 )DD78 - 8576 - 83
2828chain 'D' and (resid 86 through 91 )DD86 - 9184 - 89
2929chain 'D' and (resid 92 through 100 )DD92 - 10090 - 98
3030chain 'D' and (resid 101 through 117 )DD101 - 11799 - 115
3131chain 'E' and (resid 25 through 52 )EE25 - 521 - 28
3232chain 'E' and (resid 53 through 144 )EE53 - 14429 - 102
3333chain 'E' and (resid 145 through 229 )EE145 - 229103 - 187
3434chain 'E' and (resid 230 through 274 )EE230 - 274188 - 232
3535chain 'E' and (resid 275 through 319 )EE275 - 319233 - 277
3636chain 'E' and (resid 320 through 417 )EE320 - 417278 - 364
3737chain 'F' and (resid 3 through 28 )FF3 - 281 - 26
3838chain 'F' and (resid 29 through 34 )FF29 - 3427 - 32
3939chain 'F' and (resid 35 through 60 )FF35 - 6033 - 58
4040chain 'F' and (resid 61 through 77 )FF61 - 7759 - 75
4141chain 'F' and (resid 78 through 85 )FF78 - 8576 - 83
4242chain 'F' and (resid 86 through 91 )FF86 - 9184 - 89
4343chain 'F' and (resid 92 through 110 )FF92 - 11090 - 108
4444chain 'F' and (resid 111 through 117 )FF111 - 117109 - 115
4545chain 'G' and (resid 25 through 52 )GG25 - 521 - 28
4646chain 'G' and (resid 53 through 144 )GG53 - 14429 - 100
4747chain 'G' and (resid 145 through 229 )GG145 - 229101 - 185
4848chain 'G' and (resid 230 through 319 )GG230 - 319186 - 275
4949chain 'G' and (resid 320 through 384 )GG320 - 384276 - 338
5050chain 'G' and (resid 385 through 417 )GG385 - 417339 - 371
5151chain 'H' and (resid 3 through 28 )HH3 - 281 - 26
5252chain 'H' and (resid 29 through 60 )HH29 - 6027 - 58
5353chain 'H' and (resid 61 through 77 )HH61 - 7759 - 75
5454chain 'H' and (resid 78 through 117 )HH78 - 11776 - 115
5555chain 'I' and (resid 25 through 52 )II25 - 521 - 28
5656chain 'I' and (resid 53 through 144 )II53 - 14429 - 101
5757chain 'I' and (resid 145 through 274 )II145 - 274102 - 231
5858chain 'I' and (resid 275 through 349 )II275 - 349232 - 302
5959chain 'I' and (resid 350 through 417 )II350 - 417303 - 366
6060chain 'J' and (resid 3 through 14 )JJ3 - 141 - 12
6161chain 'J' and (resid 15 through 28 )JJ15 - 2813 - 26
6262chain 'J' and (resid 29 through 60 )JJ29 - 6027 - 58
6363chain 'J' and (resid 61 through 77 )JJ61 - 7759 - 75
6464chain 'J' and (resid 78 through 85 )JJ78 - 8576 - 83
6565chain 'J' and (resid 86 through 110 )JJ86 - 11084 - 108
6666chain 'J' and (resid 111 through 117 )JJ111 - 117109 - 115
6767chain 'K' and (resid 25 through 52 )KK25 - 521 - 28
6868chain 'K' and (resid 53 through 144 )KK53 - 14429 - 101
6969chain 'K' and (resid 145 through 229 )KK145 - 229102 - 186
7070chain 'K' and (resid 230 through 274 )KK230 - 274187 - 231
7171chain 'K' and (resid 275 through 340 )KK275 - 340232 - 295
7272chain 'K' and (resid 341 through 417 )KK341 - 417296 - 372
7373chain 'L' and (resid 3 through 28 )LL3 - 281 - 26
7474chain 'L' and (resid 29 through 77 )LL29 - 7727 - 75
7575chain 'L' and (resid 78 through 100 )LL78 - 10076 - 98
7676chain 'L' and (resid 101 through 117 )LL101 - 11799 - 115
7777chain 'M' and (resid 25 through 52 )MM25 - 521 - 28
7878chain 'M' and (resid 53 through 144 )MM53 - 14429 - 101
7979chain 'M' and (resid 145 through 229 )MM145 - 229102 - 186
8080chain 'M' and (resid 230 through 274 )MM230 - 274187 - 231
8181chain 'M' and (resid 275 through 319 )MM275 - 319232 - 276
8282chain 'M' and (resid 320 through 384 )MM320 - 384277 - 324
8383chain 'M' and (resid 385 through 417 )MM385 - 417325 - 347
8484chain 'N' and (resid 3 through 28 )NN3 - 281 - 26
8585chain 'N' and (resid 29 through 77 )NN29 - 7727 - 75
8686chain 'N' and (resid 78 through 117 )NN78 - 11776 - 115
8787chain 'O' and (resid 25 through 52 )OO25 - 521 - 28
8888chain 'O' and (resid 53 through 144 )OO53 - 14429 - 101
8989chain 'O' and (resid 145 through 229 )OO145 - 229102 - 186
9090chain 'O' and (resid 230 through 274 )OO230 - 274187 - 231
9191chain 'O' and (resid 275 through 349 )OO275 - 349232 - 299
9292chain 'O' and (resid 350 through 416 )OO350 - 416300 - 363
9393chain 'P' and (resid 3 through 14 )PP3 - 141 - 12
9494chain 'P' and (resid 15 through 28 )PP15 - 2813 - 26
9595chain 'P' and (resid 29 through 34 )PP29 - 3427 - 32
9696chain 'P' and (resid 35 through 60 )PP35 - 6033 - 58
9797chain 'P' and (resid 61 through 77 )PP61 - 7759 - 75
9898chain 'P' and (resid 78 through 85 )PP78 - 8576 - 83
9999chain 'P' and (resid 86 through 91 )PP86 - 9184 - 89
100100chain 'P' and (resid 92 through 100 )PP92 - 10090 - 98
101101chain 'P' and (resid 101 through 117 )PP101 - 11799 - 115
102102chain 'Q' and (resid 25 through 52 )QQ25 - 521 - 28
103103chain 'Q' and (resid 53 through 144 )QQ53 - 14429 - 101
104104chain 'Q' and (resid 145 through 187 )QQ145 - 187102 - 144
105105chain 'Q' and (resid 188 through 229 )QQ188 - 229145 - 186
106106chain 'Q' and (resid 230 through 274 )QQ230 - 274187 - 231
107107chain 'Q' and (resid 275 through 319 )QQ275 - 319232 - 276
108108chain 'Q' and (resid 320 through 417 )QQ320 - 417277 - 371
109109chain 'R' and (resid 3 through 28 )RR3 - 281 - 26
110110chain 'R' and (resid 29 through 42 )RR29 - 4227 - 40
111111chain 'R' and (resid 43 through 117 )RR43 - 11741 - 115
112112chain 'S' and (resid 25 through 52 )SS25 - 521 - 28
113113chain 'S' and (resid 53 through 144 )SS53 - 14429 - 100
114114chain 'S' and (resid 145 through 229 )SS145 - 229101 - 185
115115chain 'S' and (resid 230 through 274 )SS230 - 274186 - 230
116116chain 'S' and (resid 275 through 319 )SS275 - 319231 - 275
117117chain 'S' and (resid 320 through 415 )SS320 - 415276 - 340
118118chain 'T' and (resid 3 through 28 )TT3 - 281 - 26
119119chain 'T' and (resid 29 through 34 )TT29 - 3427 - 32
120120chain 'T' and (resid 35 through 50 )TT35 - 5033 - 48
121121chain 'T' and (resid 51 through 60 )TT51 - 6049 - 58
122122chain 'T' and (resid 61 through 67 )TT61 - 6759 - 65
123123chain 'T' and (resid 68 through 85 )TT68 - 8566 - 83
124124chain 'T' and (resid 86 through 110 )TT86 - 11084 - 108
125125chain 'T' and (resid 111 through 117 )TT111 - 117109 - 115
126126chain 'U' and (resid 25 through 52 )UU25 - 521 - 28
127127chain 'U' and (resid 53 through 144 )UU53 - 14429 - 101
128128chain 'U' and (resid 145 through 170 )UU145 - 170102 - 127
129129chain 'U' and (resid 171 through 229 )UU171 - 229128 - 186
130130chain 'U' and (resid 230 through 274 )UU230 - 274187 - 231
131131chain 'U' and (resid 275 through 319 )UU275 - 319232 - 276
132132chain 'U' and (resid 320 through 349 )UU320 - 349277 - 298
133133chain 'U' and (resid 350 through 384 )UU350 - 384299 - 319
134134chain 'U' and (resid 385 through 417 )UU385 - 417320 - 343
135135chain 'V' and (resid 3 through 28 )VV3 - 281 - 26
136136chain 'V' and (resid 29 through 42 )VV29 - 4227 - 40
137137chain 'V' and (resid 43 through 60 )VV43 - 6041 - 58
138138chain 'V' and (resid 61 through 85 )VV61 - 8559 - 83
139139chain 'V' and (resid 86 through 91 )VV86 - 9184 - 89
140140chain 'V' and (resid 92 through 117 )VV92 - 11790 - 115
141141chain 'W' and (resid 25 through 52 )WW25 - 521 - 28
142142chain 'W' and (resid 53 through 144 )WW53 - 14429 - 101
143143chain 'W' and (resid 145 through 229 )WW145 - 229102 - 186
144144chain 'W' and (resid 230 through 247 )WW230 - 247187 - 204
145145chain 'W' and (resid 248 through 319 )WW248 - 319205 - 276
146146chain 'W' and (resid 320 through 384 )WW320 - 384277 - 320
147147chain 'W' and (resid 385 through 416 )WW385 - 416321 - 341
148148chain 'X' and (resid 3 through 14 )XX3 - 141 - 12
149149chain 'X' and (resid 15 through 28 )XX15 - 2813 - 26
150150chain 'X' and (resid 29 through 34 )XX29 - 3427 - 32
151151chain 'X' and (resid 35 through 50 )XX35 - 5033 - 48
152152chain 'X' and (resid 51 through 60 )XX51 - 6049 - 58
153153chain 'X' and (resid 61 through 77 )XX61 - 7759 - 75
154154chain 'X' and (resid 78 through 85 )XX78 - 8576 - 83
155155chain 'X' and (resid 86 through 100 )XX86 - 10084 - 98
156156chain 'X' and (resid 101 through 110 )XX101 - 11099 - 108
157157chain 'X' and (resid 111 through 117 )XX111 - 117109 - 115
158158chain 'Y' and (resid 25 through 52 )YY25 - 521 - 28
159159chain 'Y' and (resid 53 through 144 )YY53 - 14429 - 101
160160chain 'Y' and (resid 145 through 229 )YY145 - 229102 - 186
161161chain 'Y' and (resid 230 through 274 )YY230 - 274187 - 231
162162chain 'Y' and (resid 275 through 319 )YY275 - 319232 - 276
163163chain 'Y' and (resid 320 through 417 )YY320 - 417277 - 370
164164chain 'Z' and (resid 3 through 28 )ZZ3 - 281 - 26
165165chain 'Z' and (resid 29 through 34 )ZZ29 - 3427 - 32
166166chain 'Z' and (resid 35 through 60 )ZZ35 - 6033 - 58
167167chain 'Z' and (resid 61 through 85 )ZZ61 - 8559 - 83
168168chain 'Z' and (resid 86 through 117 )ZZ86 - 11784 - 115
169169chain 'a' and (resid 25 through 52 )aAA25 - 521 - 28
170170chain 'a' and (resid 53 through 170 )aAA53 - 17029 - 126
171171chain 'a' and (resid 171 through 229 )aAA171 - 229127 - 185
172172chain 'a' and (resid 230 through 274 )aAA230 - 274186 - 230
173173chain 'a' and (resid 275 through 319 )aAA275 - 319231 - 275
174174chain 'a' and (resid 320 through 336 )aAA320 - 336276 - 292
175175chain 'a' and (resid 337 through 417 )aAA337 - 417293 - 352
176176chain 'b' and (resid 3 through 14 )bBA3 - 141 - 12
177177chain 'b' and (resid 15 through 28 )bBA15 - 2813 - 26
178178chain 'b' and (resid 29 through 34 )bBA29 - 3427 - 32
179179chain 'b' and (resid 35 through 50 )bBA35 - 5033 - 48
180180chain 'b' and (resid 51 through 60 )bBA51 - 6049 - 58
181181chain 'b' and (resid 61 through 85 )bBA61 - 8559 - 83
182182chain 'b' and (resid 86 through 110 )bBA86 - 11084 - 108
183183chain 'b' and (resid 111 through 117 )bBA111 - 117109 - 115
184184chain 'c' and (resid 25 through 52 )cCA25 - 521 - 28
185185chain 'c' and (resid 53 through 144 )cCA53 - 14429 - 101
186186chain 'c' and (resid 145 through 187 )cCA145 - 187102 - 144
187187chain 'c' and (resid 188 through 274 )cCA188 - 274145 - 231
188188chain 'c' and (resid 275 through 319 )cCA275 - 319232 - 276
189189chain 'c' and (resid 320 through 349 )cCA320 - 349277 - 298
190190chain 'c' and (resid 350 through 417 )cCA350 - 417299 - 345
191191chain 'd' and (resid 3 through 28 )dDA3 - 281 - 26
192192chain 'd' and (resid 29 through 42 )dDA29 - 4227 - 40
193193chain 'd' and (resid 43 through 67 )dDA43 - 6741 - 65
194194chain 'd' and (resid 68 through 85 )dDA68 - 8566 - 83
195195chain 'd' and (resid 86 through 117 )dDA86 - 11784 - 115
196196chain 'e' and (resid 25 through 52 )eEA25 - 521 - 28
197197chain 'e' and (resid 53 through 144 )eEA53 - 14429 - 101
198198chain 'e' and (resid 145 through 229 )eEA145 - 229102 - 186
199199chain 'e' and (resid 230 through 319 )eEA230 - 319187 - 276
200200chain 'e' and (resid 320 through 416 )eEA320 - 416277 - 340
201201chain 'f' and (resid 3 through 28 )fFA3 - 281 - 26
202202chain 'f' and (resid 29 through 34 )fFA29 - 3427 - 32
203203chain 'f' and (resid 35 through 60 )fFA35 - 6033 - 58
204204chain 'f' and (resid 61 through 77 )fFA61 - 7759 - 75
205205chain 'f' and (resid 78 through 110 )fFA78 - 11076 - 108
206206chain 'f' and (resid 111 through 117 )fFA111 - 117109 - 115

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