1BD2

COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.50 Å
  • R-Value Free: 0.312 
  • R-Value Work: 0.238 
  • R-Value Observed: 0.238 

wwPDB Validation   3D Report Full Report


This is version 1.6 of the entry. See complete history


Literature

Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.

Ding, Y.H.Smith, K.J.Garboczi, D.N.Utz, U.Biddison, W.E.Wiley, D.C.

(1998) Immunity 8: 403-411

  • DOI: https://doi.org/10.1016/s1074-7613(00)80546-4
  • Primary Citation of Related Structures:  
    1BD2

  • PubMed Abstract: 

    The three-dimensional structure of a human alphabeta T cell receptor (TCR), B7, bound to the HLA-A2 molecule/HTLV-1 Tax peptide complex was determined by x-ray crystallography. Although different from the A6 TCR, previously studied, in 16 of the 17 residues that contact HLA-A2/Tax, the B7 TCR binds in a similar diagonal manner, only slightly tipped and rotated, relative to the A6 TCR. The structure explains data from functional assays on the specificity differences between the B7 and A6 TCRs for agonist, partial agonist, and null peptides. The existence of a structurally similar diagonal binding mode for TCRs favors mechanisms based on the formation of geometrically defined supramolecular assemblies for initiating signaling.


  • Organizational Affiliation

    Department of Molecular and Cellular Biology, Harvard University, Howard Hughes Medical Institute, Cambridge, Massachusetts 02138, USA. ding@crystal.harvard.edu


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
HLA-A 0201275Homo sapiensMutation(s): 0 
Gene Names: HLA-A 0201
UniProt & NIH Common Fund Data Resources
Find proteins for P04439 (Homo sapiens)
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Go to UniProtKB:  P04439
PHAROS:  P04439
GTEx:  ENSG00000206503 
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UniProt GroupP04439
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  • Reference Sequence
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
BETA-2 MICROGLOBULIN100Homo sapiensMutation(s): 0 
Gene Names: V BETA 12.3 J BETA 2.7 (BV13S1)
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Find proteins for P61769 (Homo sapiens)
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PHAROS:  P61769
GTEx:  ENSG00000166710 
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UniProt GroupP61769
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  • Reference Sequence

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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
TAX PEPTIDE9Human T-cell leukemia virus type IMutation(s): 0 
UniProt
Find proteins for P14079 (Human T-cell leukemia virus 1 (isolate Caribbea HS-35 subtype A))
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UniProt GroupP14079
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  • Reference Sequence
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
T CELL RECEPTOR ALPHA204Homo sapiensMutation(s): 0 
Gene Names: V ALPHA 17.2J ALPHA 54 (ADV21S1A1N2)
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PHAROS:  P01848
Find proteins for P04437 (Homo sapiens)
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PHAROS:  P04437
GTEx:  ENSG00000211810 
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UniProt GroupsP01848P04437
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
T CELL RECEPTOR BETA244Homo sapiensMutation(s): 0 
Gene Names: V BETA 12.3J BETA 2.7 (BV13S1)
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PHAROS:  A0A5B9
Find proteins for A0A0K0K1A5 (Homo sapiens)
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PHAROS:  A0A0K0K1A5
GTEx:  ENSG00000211721 
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UniProt GroupsA0A5B9A0A0K0K1A5
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.50 Å
  • R-Value Free: 0.312 
  • R-Value Work: 0.238 
  • R-Value Observed: 0.238 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 63.8α = 90
b = 73.3β = 90
c = 217.7γ = 90
Software Package:
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
X-PLORmodel building
X-PLORrefinement
X-PLORphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 1998-08-19
    Type: Initial release
  • Version 1.1: 2008-03-24
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2012-12-12
    Changes: Other
  • Version 1.4: 2013-03-13
    Changes: Other
  • Version 1.5: 2016-05-25
    Changes: Structure summary
  • Version 1.6: 2023-08-02
    Changes: Database references, Refinement description