› 5mmv

X-ray diffraction
2.15Å resolution

Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)

Released:
DOI: 10.2210/pdb5mmv/pdb
PDB entry 5mmv coloured by chain, front view.
PDB entry 5mmv coloured by chain, side view.
PDB entry 5mmv coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Brethon A, Chantalat L, Christin O, Clary L, Fournier JF, Gastreich M, Harris C, Pascau J, Isabet T, Rodeschin V, Thoreau E, Roche D

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: 179 amino acids
Theoretical weight: 20 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
Structure domains: Rossmann fold
Caspase-1 subunit p10 Chain: B
Molecule details ›
Chain: B
Length: 89 amino acids
Theoretical weight: 10.39 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
Structure domains: Caspase-like

Ligands and Environments

1 bound ligand:
Ligand WE0 1 x WE0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P43212
Unit cell:
a: 63.081Å b: 63.081Å c: 138.042Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.197 0.249
Expression system: Escherichia coli

Quick links