› 1shj

X-ray diffraction
2.8Å resolution

Caspase-7 in complex with DICA allosteric inhibitor

Released:
DOI: 10.2210/pdb1shj/pdb
PDB entry 1shj coloured by chain, front view.
PDB entry 1shj coloured by chain, side view.
PDB entry 1shj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of an allosteric site in the caspases.
Hardy JA, Lam J, Nguyen JT, O'Brien T, Wells JA
Proc Natl Acad Sci U S A 101 12461-6 (2004)
PMID: 15314233

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157233 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Caspase-7 subunit p20 Chains: A, B
Molecule details ›
Chains: A, B
Length: 262 amino acids
Theoretical weight: 29.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P55210 (Residues: 50-303; Coverage: 84%)
Gene names: CASP7, MCH3
Sequence domains: Caspase domain
Structure domains: Rossmann fold

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand NXN 2 x NXN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3221
Unit cell:
a: 91.097Å b: 91.097Å c: 184.465Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.246 0.244 0.287
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

28 review citations

Targeting proteases: successes, failures and future prospects.
Turk B. (2006)
27 more

22 mentions without citation

The protein structures that shape caspase activity, specificity, activation and inhibition.
Fuentes-Prior et al. (2004)
21 more