PDBe 2icw

X-ray diffraction
2.41Å resolution

Crystal structure of a complete ternary complex between TCR, superantigen, and peptide-MHC class II molecule

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Entry contents:
6 distinct polypeptide molecules
Macromolecules (6 distinct):
haemagglutinin peptide Chains: C, F
Molecule details ›
Chains: C, F
Length: 13 amino acids
Theoretical weight: 1.51 KDa
Beta-chain Chains: J, L
Molecule details ›
Chains: J, L
Length: 113 amino acids
Theoretical weight: 12.18 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A2NTY6 (Residues: 30-144; Coverage: 96%)
Structure domains: Immunoglobulins
T-cell receptor alpha chain V region PHDS58 Chains: I, K
Molecule details ›
Chains: I, K
Length: 110 amino acids
Theoretical weight: 12.11 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01738 (Residues: 21-130; Coverage: 100%)
Sequence domains: Immunoglobulin V-set domain
Structure domains: Immunoglobulins
Superantigen Chains: G, H
Molecule details ›
Chains: G, H
Length: 213 amino acids
Theoretical weight: 25.33 KDa
Source organism: Mycoplasma arthritidis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q48898 (Residues: 26-238; Coverage: 90%)
Structure domains:
HLA class II histocompatibility antigen, DR alpha chain Chains: A, D
Molecule details ›
Chains: A, D
Length: 179 amino acids
Theoretical weight: 20.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01903 (Residues: 28-206; Coverage: 78%)
Gene names: HLA-DRA, HLA-DRA1
Sequence domains:
Structure domains:
HLA class II histocompatibility antigen, DRB1-1 beta chain Chains: B, E
Molecule details ›
Chains: B, E
Length: 190 amino acids
Theoretical weight: 22.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04229 (Residues: 30-219; Coverage: 80%)
Gene name: HLA-DRB1
Sequence domains:
Structure domains:

Ligands and Environments

No bound ligands

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P1
Unit cell:
a: 61.516Å b: 86.822Å c: 116.981Å
α: 110.27° β: 92.32° γ: 107.87°
R-values:
R R work R free
0.242 0.242 0.288
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli