› 7sg0

X-ray diffraction
3Å resolution

W316 TCR in complex with HLA-DQ2-omega1

Released:
DOI: 10.2210/pdb7sg0/pdb
PDB entry 7sg0 coloured by chain, front view.
PDB entry 7sg0 coloured by chain, side view.
PDB entry 7sg0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
Ciacchi L, Farenc C, Dahal-Koirala S, Petersen J, Sollid LM, Reid HH, Rossjohn J
J Biol Chem 298 101619 (2022)
PMID: 35065967

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
PDBe Complex ID:
PDB-CPX-208065 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class II histocompatibility antigen, DQ alpha 1 chain Chain: A
Molecule details ›
Chain: A
Length: 183 amino acids
Theoretical weight: 20.68 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P01909 (Residues: 24-206; Coverage: 79%)
Gene name: HLA-DQA1
Sequence domains:
Ig-like domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 207 amino acids
Theoretical weight: 23.7 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: O19712 (Residues: 1-192; Coverage: 84%)
Gene name: HLA-DQB1
Sequence domains:
DQ2-glia-omega1 peptide Chain: C
Molecule details ›
Chain: C
Length: 11 amino acids
Theoretical weight: 1.31 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
T-cell receptor, w316, alpha chain Chain: D
Molecule details ›
Chain: D
Length: 208 amino acids
Theoretical weight: 22.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
T-cell receptor, w316, beta chain Chain: E
Molecule details ›
Chain: E
Length: 240 amino acids
Theoretical weight: 26.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Ligands and Environments

2 bound ligands:
Ligand NAG 2 x NAG
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 194.889Å b: 73.248Å c: 77.894Å
α: 90° β: 95.23° γ: 90°
R-values:
R R work R free
0.193 0.191 0.23
Expression systems:
  • Trichoplusia ni
  • Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

2 review citations

The good and the bad of T cell cross-reactivity: challenges and opportunities for novel therapeutics in autoimmunity and cancer.
Gouttefangeas et al. (2023)
1 more