› 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 5mmv coloured by chain and viewed from the front.
PDB 5mmv coloured by chain and viewed from the side.
PDB 5mmv coloured by chain and viewed from the top.
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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (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