› 6bz9

X-ray diffraction
1.8Å resolution

Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK

Released:
DOI: 10.2210/pdb6bz9/pdb
PDB entry 6bz9 coloured by chain, front view.
PDB entry 6bz9 coloured by chain, side view.
PDB entry 6bz9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Yang J, Liu Z, Wang C, Yang R, Rathkey JK, Pinkard OW, Shi W, Chen Y, Dubyak GR, Abbott DW, Xiao TS
Proc Natl Acad Sci U S A 115 6792-6797 (2018)
PMID: 29891674

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 trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151486 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 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
Structure domains: Rossmann fold
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
Structure domains: Caspase-like
Ac-FLTD-CMK Chain: C
Molecule details ›
Chain: C
Length: 6 amino acids
Theoretical weight: 553 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-2
Spacegroup: P43212
Unit cell:
a: 63.83Å b: 63.83Å c: 160.551Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.178 0.21
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

33 review citations

Caspases in Cell Death, Inflammation, and Pyroptosis.
Kesavardhana et al. (2020)
32 more

6 mentions without citation

Mechanistic Insights into Gasdermin Pore Formation and Regulation in Pyroptosis.
Wang et al. (2022)
5 more