PDBe 5tru

X-ray diffraction
3Å resolution

Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Ipilimumab Fab light chain Chains: L, l
Molecule details ›
Chains: L, l
Length: 215 amino acids
Theoretical weight: 23.48 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
Ipilimumab Fab heavy chain Chains: H, h
Molecule details ›
Chains: H, h
Length: 225 amino acids
Theoretical weight: 24.23 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
Cytotoxic T-lymphocyte protein 4 Chains: C, c
Molecule details ›
Chains: C, c
Length: 118 amino acids
Theoretical weight: 12.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P16410 (Residues: 37-154; Coverage: 63%)
Gene names: CD152, CTLA4
Sequence domains: Immunoglobulin V-set domain

Ligands and Environments

No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: C2221
Unit cell:
a: 95.844Å b: 197.502Å c: 148.117Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.204 0.268
Expression systems:
  • Cricetulus griseus
  • Escherichia coli BL21(DE3)