› 3pl6

X-ray diffraction
2.55Å resolution

Structure of Autoimmune TCR Hy.1B11 in complex with HLA-DQ1 and MBP 85-99

Released:
DOI: 10.2210/pdb3pl6/pdb
PDB entry 3pl6 coloured by chain, front view.
PDB entry 3pl6 coloured by chain, side view.
PDB entry 3pl6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A highly tilted binding mode by a self-reactive T cell receptor results in altered engagement of peptide and MHC.
Sethi DK, Schubert DA, Anders AK, Heroux A, Bonsor DA, Thomas CP, Sundberg EJ, Pyrdol J, Wucherpfennig KW
J Exp Med 208 91-102 (2011)
PMID: 21199956

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-207252 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Ig-like domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 194 amino acids
Theoretical weight: 21.96 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: A0A173ADG5 (Residues: 24-217; Coverage: 84%)
Gene name: HLA-DQA1
Sequence domains:
Structure domains:
Ig-like domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 202 amino acids
Theoretical weight: 23.45 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: A0A0A8WFP6 (Residues: 31-230; Coverage: 84%)
Gene name: HLA-DQB1
Sequence domains:
Structure domains:
T-cell receptor alpha chain Chain: C
Molecule details ›
Chain: C
Length: 206 amino acids
Theoretical weight: 22.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
Structure domains: Immunoglobulins
MBP peptide / T-cell receptor beta chain chimera Chain: D
Molecule details ›
Chain: D
Length: 268 amino acids
Theoretical weight: 29.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand NAG 2 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 73.123Å b: 124.815Å c: 134.921Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.232 0.258
Expression systems:
  • Cricetulus griseus
  • Escherichia coli

Quick links

Citations

24 review citations

T cell antigen receptor recognition of antigen-presenting molecules.
Rossjohn et al. (2015)
23 more

26 mentions without citation

Conformational variation in structures of classical and non-classical MHCII proteins and functional implications.
Painter et al. (2012)
25 more