Structure analysis

Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)

X-ray diffraction
2.2Å resolution
Source organism: Homo sapiens
Assembly composition:
hetero hexamer (preferred)
Entry contents: 3 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero hexamer
Accessible surface area: 20759.11 Å2
Buried surface area: 18512.87 Å2
Dissociation area: 2,888.22 Å2
Dissociation energy (ΔGdiss): 20.31 kcal/mol
Dissociation entropy (TΔSdiss): 13.44 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-151492

Macromolecules

Chain: A
Length: 178 amino acids
Theoretical weight: 19.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P29466 (Residues: 120-297; Coverage: 44%)
Gene names: CASP1, IL1BC, IL1BCE
Pfam: Caspase domain
InterPro:
CATH: Rossmann fold

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Chain: B
Length: 88 amino acids
Theoretical weight: 10.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P29466 (Residues: 317-404; Coverage: 22%)
Gene names: CASP1, IL1BC, IL1BCE
Pfam: Caspase domain
InterPro:
CATH: Caspase-like

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