› 7z50

X-ray diffraction
2.65Å resolution

Structure of the highly diabetogenic 4.1-T cell receptor targeting a hybrid insulin peptide bound to I-Ag7.

Released:
DOI: 10.2210/pdb7z50/pdb
PDB entry 7z50 coloured by chain, front view.
PDB entry 7z50 coloured by chain, side view.
PDB entry 7z50 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural plasticity in I-Ag7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Erausquin E, Serra P, Parras D, Santamaria P, López-Sagaseta J
Front Immunol 13 924311 (2022)
PMID: 35967292

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-225024 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
H-2 class II histocompatibility antigen, A-D alpha chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 202 amino acids
Theoretical weight: 23.03 KDa
Source organism: Mus musculus
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P04228 (Residues: 24-218; Coverage: 84%)
Gene name: H2-Aa
Sequence domains:
Ig-like domain-containing protein Chains: B, D
Molecule details ›
Chains: B, D
Length: 230 amino acids
Theoretical weight: 26.26 KDa
Source organism: Mus musculus
Expression system: Cricetulus griseus
UniProt:
  • Canonical: Q31135 (Residues: 28-224; Coverage: 84%)
Gene name: H2-Ab1
Sequence domains:
4.1 TCR beta chain Chains: E, F
Molecule details ›
Chains: E, F
Length: 242 amino acids
Theoretical weight: 27.32 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
4.1 TCR alpha chain Chains: G, H
Molecule details ›
Chains: G, H
Length: 207 amino acids
Theoretical weight: 23.18 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Hybrid insulin peptide Chains: T, W
Molecule details ›
Chains: T, W
Length: 15 amino acids
Theoretical weight: 1.56 KDa
Source organism: Mus musculus
Expression system: Cricetulus griseus

Ligands and Environments

4 bound ligands:
Ligand NAG 5 x NAG
Ligand EDO 6 x EDO
Ligand NA 2 x NA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: C2
Unit cell:
a: 213.615Å b: 133.457Å c: 102.56Å
α: 90° β: 103.69° γ: 90°
R-values:
R R work R free
0.223 0.221 0.261
Expression systems:
  • Cricetulus griseus
  • Escherichia coli

Quick links

Citations

1 review citation

Using mass spectrometry to identify neoantigens in autoimmune diseases: The type 1 diabetes example.
Lichti et al. (2023)

2 mentions without citation

Structural plasticity in I-Ag7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Erausquin et al. (2022)
1 more