PDBe 4z78

X-ray diffraction
2.3Å resolution

Weak TCR binding to an unstable insulin epitope drives type 1 diabetes

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
H-2 class I histocompatibility antigen, K-D alpha chain Chains: A, D, G
Molecule details ›
Chains: A, D, G
Length: 277 amino acids
Theoretical weight: 32.35 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01902 (Residues: 22-296; Coverage: 79%)
Gene names: H2-K, H2-K1
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: B, E, H
Molecule details ›
Chains: B, E, H
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Insulin B chain Chains: C, F, I
Molecule details ›
Chains: C, F, I
Length: 10 amino acids
Theoretical weight: 1.16 KDa
Source organism: Homo sapiens
Expression system: synthetic construct
UniProt:
  • Canonical: P01308 (Residues: 39-48; Coverage: 12%)
Gene name: INS

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 46.17Å b: 151.57Å c: 182.23Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.233
Expression systems:
  • Escherichia coli BL21(DE3)
  • synthetic construct