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Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4

X-ray diffraction
2.41Å resolution
PDB entry 7su0 coloured by chain, front view.
PDB entry 7su0 coloured by chain, side view.
PDB entry 7su0 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: Cytotoxic T-lymphocyte protein 4 and IG-heavy chain and IG-light kappa chain
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Multimeric state: hetero trimer
Accessible surface area: 24356.78 Å2
Buried surface area: 5275.55 Å2
Dissociation area: 2,409.96 Å2
Dissociation energy (ΔGdiss): 18.08 kcal/mol
Dissociation entropy (TΔSdiss): 25.06 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-210689
Assembly 2 (preferred)
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Assembly Name: Cytotoxic T-lymphocyte protein 4 and IG-heavy chain and IG-light kappa chain
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Multimeric state: hetero trimer
Accessible surface area: 23525.02 Å2
Buried surface area: 5965.32 Å2
Dissociation area: 990.76 Å2
Dissociation energy (ΔGdiss): -0.63 kcal/mol
Dissociation entropy (TΔSdiss): 12.02 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-210689

Macromolecules

Cytotoxic T-lymphocyte protein 4
Chains: C, D
Length: 125 amino acids
Theoretical weight: 13.56 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P16410 (Residues: 36-153; Coverage: 63%)
Gene names: CD152, CTLA4
Pfam: Immunoglobulin V-set domain
InterPro:
Cytotoxic T-lymphocyte protein 4 in PDB entry 7su0, assembly 2, front view.
Cytotoxic T-lymphocyte protein 4 in PDB entry 7su0, assembly 2, side view.
Cytotoxic T-lymphocyte protein 4 in PDB entry 7su0, assembly 2, top view.
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Fab heavy chain
Chains: H, I
Length: 229 amino acids
Theoretical weight: 24.75 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
InterPro:
Fab heavy chain in PDB entry 7su0, assembly 2, front view.
Fab heavy chain in PDB entry 7su0, assembly 2, side view.
Fab heavy chain in PDB entry 7su0, assembly 2, top view.
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Fab light chain
Chains: L, M
Length: 215 amino acids
Theoretical weight: 23.53 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
InterPro:
Fab light chain in PDB entry 7su0, assembly 2, front view.
Fab light chain in PDB entry 7su0, assembly 2, side view.
Fab light chain in PDB entry 7su0, assembly 2, top view.
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