› 5tru

X-ray diffraction
3Å resolution

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

Released:
DOI: 10.2210/pdb5tru/pdb
PDB entry 5tru coloured by chain, front view.
PDB entry 5tru coloured by chain, side view.
PDB entry 5tru coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Ramagopal UA, Liu W, Garrett-Thomson SC, Bonanno JB, Yan Q, Srinivasan M, Wong SC, Bell A, Mankikar S, Rangan VS, Deshpande S, Korman AJ, Almo SC
Proc Natl Acad Sci U S A 114 E4223-E4232 (2017)
PMID: 28484017

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-230878 (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
Structure domains: Immunoglobulins
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
Structure domains: Immunoglobulins
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
Structure domains: Immunoglobulins

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)

Quick links

Citations

36 review citations

CTLA-4: a moving target in immunotherapy.
Rowshanravan et al. (2018)
35 more

13 mentions without citation

Molecular Interactions of Antibody Drugs Targeting PD-1, PD-L1, and CTLA-4 in Immuno-Oncology.
Lee et al. (2019)
12 more