3E2H

Structure of the m67 high-affinity mutant of the 2C TCR in complex with Ld/QL9


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.80 Å
  • R-Value Free: 0.276 
  • R-Value Work: 0.223 

wwPDB Validation   3D Report Full Report


This is version 1.5 of the entry. See complete history


Literature

Distinct CDR3 Conformations in TCRs Determine the Level of Cross-Reactivity for Diverse Antigens, but Not the Docking Orientation

Jones, L.L.Colf, L.A.Stone, J.D.Garcia, K.C.Kranz, D.M.

(2008) J Immunol 181: 6255-6264

  • DOI: https://doi.org/10.4049/jimmunol.181.9.6255
  • Primary Citation of Related Structures:  
    3E2H, 3E3Q

  • PubMed Abstract: 

    T cells are known to cross-react with diverse peptide MHC Ags through their alphabeta TCR. To explore the basis of such cross-reactivity, we examined the 2C TCR that recognizes two structurally distinct ligands, SIY-K(b) and alloantigen QL9-L(d). In this study we characterized the cross-reactivity of several high-affinity 2C TCR variants that contained mutations only in the CDR3alpha loop. Two of the TCR lost their ability to cross-react with the reciprocal ligand (SIY-K(b)), whereas another TCR (m67) maintained reactivity with both ligands. Crystal structures of four of the TCRs in complex with QL9-L(d) showed that CDR1, CDR2, and CDR3beta conformations and docking orientations were remarkably similar. Although the CDR3alpha loop of TCR m67 conferred a 2000-fold higher affinity for SIY-K(b), the TCR maintained the same docking angle on QL9-L(d) as the 2C TCR. Thus, CDR3alpha dictated the affinity and level of cross-reactivity, yet it did so without affecting the conserved docking orientation.


  • Organizational Affiliation

    Department of Biochemistry, University of Illinois, Urbana, IL 61801, USA.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
H-2 class I histocompatibility antigen, L-D alpha chain175Mus musculusMutation(s): 9 
Gene Names: H2-L
UniProt
Find proteins for P01897 (Mus musculus)
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Go to UniProtKB:  P01897
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UniProt GroupP01897
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  • Reference Sequence

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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
QL9 PEPTIDEB [auth Q]9N/AMutation(s): 0 
UniProt & NIH Common Fund Data Resources
Find proteins for Q60597 (Mus musculus)
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Go to UniProtKB:  Q60597
IMPC:  MGI:1098267
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UniProt GroupQ60597
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  • Reference Sequence
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
T-cell receptor alpha chain V region PHDS58C [auth B]109Mus musculusMutation(s): 7 
UniProt
Find proteins for P01738 (Mus musculus)
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Go to UniProtKB:  P01738
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UniProt GroupP01738
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  • Reference Sequence
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
M67 TCR beta chainD [auth C]110Mus musculusMutation(s): 0 
UniProt
Find proteins for A2NTY6 (Mus musculus)
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UniProt GroupA2NTY6
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.80 Å
  • R-Value Free: 0.276 
  • R-Value Work: 0.223 
  • Space Group: P 64 2 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 112.603α = 90
b = 112.603β = 90
c = 272.451γ = 120
Software Package:
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
PHASERphasing
CNSrefinement
PDB_EXTRACTdata extraction
HKL-2000data reduction
HKL-2000data scaling

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2008-11-04
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2013-09-18
    Changes: Derived calculations
  • Version 1.3: 2017-10-25
    Changes: Refinement description
  • Version 1.4: 2021-10-20
    Changes: Database references
  • Version 1.5: 2023-08-30
    Changes: Data collection, Refinement description