› 3p4u

X-ray diffraction
1.9Å resolution

Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor

Released:
DOI: 10.2210/pdb3p4u/pdb
PDB entry 3p4u coloured by chain, front view.
PDB entry 3p4u coloured by chain, side view.
PDB entry 3p4u coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Mueller I, Lamers MBAC, Ritchie AJ, Dominguez C, Munoz I, Maillard M, Kiselyov A

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 trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157268 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Caspase-6 subunit p18 Chains: A, C
Molecule details ›
Chains: A, C
Length: 157 amino acids
Theoretical weight: 18.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55212 (Residues: 23-179; Coverage: 54%)
Gene names: CASP6, MCH2
Sequence domains: Caspase domain
Structure domains: Rossmann fold
Caspase-6 subunit p11 Chains: B, D
Molecule details ›
Chains: B, D
Length: 108 amino acids
Theoretical weight: 12.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55212 (Residues: 193-293; Coverage: 35%)
Gene names: CASP6, MCH2
Sequence domains: Caspase domain
Structure domains: Caspase-like
Ac-VEID-CHO inhibitor Chains: E, F
Molecule details ›
Chains: E, F
Length: 5 amino acids
Theoretical weight: 487 Da

Ligands and Environments

No bound ligands
1 modified residue:
Ligand CAS 8 x CAS

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 55.455Å b: 89.5Å c: 61.245Å
α: 90° β: 111.73° γ: 90°
R-values:
R R work R free
0.151 0.15 0.185
Expression system: Escherichia coli

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