› 7sg2

X-ray diffraction
3.1Å resolution

XPA5 TCR in complex with HLA-DQ2-omega1

Released:
DOI: 10.2210/pdb7sg2/pdb
PDB entry 7sg2 coloured by chain, front view.
PDB entry 7sg2 coloured by chain, side view.
PDB entry 7sg2 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-208759 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class II histocompatibility antigen, DQ alpha 1 chain Chains: A, F
Molecule details ›
Chains: A, F
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 Chains: B, G
Molecule details ›
Chains: B, G
Length: 205 amino acids
Theoretical weight: 23.56 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q5Y7D3 (Residues: 33-224; Coverage: 84%)
Gene name: HLA-DQB1
Sequence domains:
T-cell receptor, xpa5, alpha chain Chains: D, I
Molecule details ›
Chains: D, I
Length: 203 amino acids
Theoretical weight: 22.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
T-cell receptor, xpa5, beta chain Chains: E, J
Molecule details ›
Chains: E, J
Length: 246 amino acids
Theoretical weight: 27.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
DQ2-glia-omega1 peptide Chains: C, H
Molecule details ›
Chains: C, H
Length: 13 amino acids
Theoretical weight: 1.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 137.245Å b: 75.108Å c: 216.431Å
α: 90° β: 103.16° γ: 90°
R-values:
R R work R free
0.22 0.218 0.259
Expression systems:
  • Trichoplusia ni
  • Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

2 review citations

Population genetics and external proficiency testing for HLA disease associations.
Mrazek F. (2023)
1 more

1 mention without citation

Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
Ciacchi et al. (2022)