6cl1

X-ray diffraction
2.65Å resolution

Caspase-7 in complex with Ac-DW3-KE

Released:
Primary publication:
Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
ACS Chem Biol 14 2463-2470 (2019)
PMID: 31334631

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
PDBe Complex ID:
PDB-CPX-157252 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Caspase-7 subunit p20 Chains: A, C
Molecule details ›
Chains: A, C
Length: 198 amino acids
Theoretical weight: 22.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55210 (Residues: 1-198; Coverage: 65%)
Gene names: CASP7, MCH3
Sequence domains: Caspase domain
Structure domains: Rossmann fold
Caspase-7 subunit p11 Chains: B, D
Molecule details ›
Chains: B, D
Length: 113 amino acids
Theoretical weight: 13.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55210 (Residues: 199-303; Coverage: 35%)
Gene names: CASP7, MCH3
Sequence domains: Caspase domain
Structure domains: Caspase-like
ACE-1MH-ASP-B3L-PHE-1U8 Chains: E, F
Molecule details ›
Chains: E, F
Length: 8 amino acids
Theoretical weight: 1.12 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P3221
Unit cell:
a: 88.373Å b: 88.373Å c: 186.401Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.197 0.244
Expression systems:
  • Escherichia coli
  • Not provided