› 5v6z

X-ray diffraction
2.6Å resolution

Crystal structure of human caspase-7 soaked with allosteric inhibitor 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid

Released:
DOI: 10.2210/pdb5v6z/pdb
PDB entry 5v6z coloured by chain, front view.
PDB entry 5v6z coloured by chain, side view.
PDB entry 5v6z coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Vance NR, Gakhar L, Spies MA

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:
Sequence domains:

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 303 amino acids
Theoretical weight: 34.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P55210 (Residues: 1-303; Coverage: 100%)
Gene names: CASP7, MCH3
Sequence domains: Caspase domain
Structure domains: Rossmann fold

Ligands and Environments

1 bound ligand:
Ligand 8YJ 1 x 8YJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P3221
Unit cell:
a: 89.344Å b: 89.344Å c: 184.898Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.207 0.204 0.249
Expression system: Escherichia coli BL21(DE3)

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