› 4hva

X-ray diffraction
2.07Å resolution

Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6

Released:
DOI: 10.2210/pdb4hva/pdb
PDB entry 4hva coloured by chain, front view.
PDB entry 4hva coloured by chain, side view.
PDB entry 4hva coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6.
Heise CE, Murray J, Augustyn KE, Bravo B, Chugha P, Cohen F, Giannetti AM, Gibbons P, Hannoush RN, Hearn BR, Jaishankar P, Ly CQ, Shah K, Stanger K, Steffek M, Tang Y, Zhao X, Lewcock JW, Renslo AR, Flygare J, Arkin MR
PLoS One 7 e50864 (2012)
PMID: 23227217

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157274 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Caspase-6 subunit p18 Chains: A, B
Molecule details ›
Chains: A, B
Length: 265 amino acids
Theoretical weight: 30.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P55212 (Residues: 24-293; Coverage: 87%)
Gene names: CASP6, MCH2
Sequence domains: Caspase domain
Structure domains: Rossmann fold
VEID Inhibitor Chains: C, D
Molecule details ›
Chains: C, D
Length: 5 amino acids
Theoretical weight: 789 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 4HV 2 x 4HV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 55.988Å b: 62.647Å c: 76.298Å
α: 90° β: 104.79° γ: 90°
R-values:
R R work R free
0.174 0.172 0.214
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

4 review citations

Caspase-6 as a novel early target in the treatment of Alzheimer's disease.
LeBlanc AC. (2013)
3 more

1 mention without citation

Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6.
Heise et al. (2012)