› 6pzp

X-ray diffraction
1.94Å resolution

Crystal structure of caspase-1 in complex with VX-765

Released:
DOI: 10.2210/pdb6pzp/pdb
PDB entry 6pzp coloured by chain, front view.
PDB entry 6pzp coloured by chain, side view.
PDB entry 6pzp coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Yang J, Liu Z, Xiao TS

Function and Biology Details

Reaction catalysed: 
Strict requirement for an Asp residue at position P1 and has a preferred cleavage sequence of Tyr-Val-Ala-Asp-|-.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151484 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Caspase-1 subunit p20 Chain: A
Molecule details ›
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
Sequence domains: Caspase domain
Caspase-1 subunit p10 Chain: B
Molecule details ›
Chain: B
Length: 88 amino acids
Theoretical weight: 10.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P29466 (Residues: 317-404; Coverage: 22%)
Gene names: CASP1, IL1BC, IL1BCE
Sequence domains: Caspase domain

Ligands and Environments

1 bound ligand:
Ligand P7S 1 x P7S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-2
Spacegroup: P43212
Unit cell:
a: 63.605Å b: 63.605Å c: 162.107Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.167 0.208
Expression system: Escherichia coli

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