› 2p5w

X-ray diffraction
2.2Å resolution

Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry

Released:
DOI: 10.2210/pdb2p5w/pdb
PDB entry 2p5w coloured by chain, front view.
PDB entry 2p5w coloured by chain, side view.
PDB entry 2p5w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry.
Sami M, Rizkallah PJ, Dunn S, Molloy P, Moysey R, Vuidepot A, Baston E, Todorov P, Li Y, Gao F, Boulter JM, Jakobsen BK
Protein Eng Des Sel 20 397-403 (2007)
PMID: 17644531

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
PDBe Complex ID:
PDB-CPX-208582 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class I histocompatibility antigen, A alpha chain Chain: A
Molecule details ›
Chain: A
Length: 276 amino acids
Theoretical weight: 31.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P04439 (Residues: 25-299; Coverage: 81%)
Gene names: HLA-A, HLAA
Sequence domains:
Structure domains:
Beta-2-microglobulin Chain: B
Molecule details ›
Chain: B
Length: 100 amino acids
Theoretical weight: 11.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Cancer/testis antigen 1 Chain: C
Molecule details ›
Chain: C
Length: 9 amino acids
Theoretical weight: 1.09 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P78358 (Residues: 157-165; Coverage: 5%)
Gene names: CTAG, CTAG1, CTAG1A, CTAG1B, ESO1, LAGE2, LAGE2A, LAGE2B
T cell receptor alpha chain constant Chain: D
Molecule details ›
Chain: D
Length: 192 amino acids
Theoretical weight: 21.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P01848 (Residues: 1-77; Coverage: 55%)
Gene names: TCRA, TRAC
Sequence domains: Domain of unknown function (DUF1968)
Structure domains: Immunoglobulins
Hypothetical protein Chain: E
Molecule details ›
Chain: E
Length: 243 amino acids
Theoretical weight: 27.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
Structure domains: Immunoglobulins

Ligands and Environments

5 bound ligands:
Ligand SO4 6 x SO4
Ligand GOL 11 x GOL
Ligand CA 1 x CA
Ligand MG 1 x MG
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.2
Spacegroup: P21
Unit cell:
a: 74.59Å b: 52.325Å c: 118.932Å
α: 90° β: 98.13° γ: 90°
R-values:
R R work R free
0.169 0.165 0.245
Expression systems:
  • Escherichia coli BL21
  • Not provided

Quick links

Citations

6 review citations

The molecular basis of TCR germline bias for MHC is surprisingly simple.
Garcia et al. (2009)
5 more

4 mentions without citation

Predicting peptide binding affinities to MHC molecules using a modified semi-empirical scoring function.
Liao et al. (2011)
3 more