› 2pyf

X-ray diffraction
2.2Å resolution

Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry Unbound TCR Clone 5-1

Released:
DOI: 10.2210/pdb2pyf/pdb
PDB entry 2pyf coloured by chain, front view.
PDB entry 2pyf coloured by chain, side view.
PDB entry 2pyf 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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-208594 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
T cell receptor alpha chain constant Chain: A
Molecule details ›
Chain: A
Length: 205 amino acids
Theoretical weight: 22.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P01848 (Residues: 1-91; Coverage: 64%)
Gene names: TCRA, TRAC
Sequence domains: Domain of unknown function (DUF1968)
Structure domains: Immunoglobulins
T-Cell Receptor, Beta Chain Chain: B
Molecule details ›
Chain: B
Length: 241 amino acids
Theoretical weight: 27.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
Structure domains: Immunoglobulins

Ligands and Environments

3 bound ligands:
Ligand SO4 6 x SO4
Ligand PG4 1 x PG4
Ligand PGE 4 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.1
Spacegroup: P21
Unit cell:
a: 42.964Å b: 59.805Å c: 81.799Å
α: 90° β: 90.94° γ: 90°
R-values:
R R work R free
0.213 0.209 0.295
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

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

3 mentions without citation

TCRep 3D: an automated in silico approach to study the structural properties of TCR repertoires.
Leimgruber et al. (2011)
2 more