› 8eg5

X-ray diffraction
2.14Å resolution

huCaspase-6 in complex with inhibitor 3a

Released:
DOI: 10.2210/pdb8eg5/pdb
PDB entry 8eg5 coloured by chain, front view.
PDB entry 8eg5 coloured by chain, side view.
PDB entry 8eg5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
Van Horn KS, Wang D, Medina-Cleghorn D, Lee PS, Bryant C, Altobelli C, Jaishankar P, Leung KK, Ng RA, Ambrose AJ, Tang Y, Arkin MR, Renslo AR
OpenAccess logo J Am Chem Soc (2023)
PMID: 37104712

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157271 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Caspase-6 subunit p18 Chains: A, C, E, G
Molecule details ›
Chains: A, C, E, G
Length: 150 amino acids
Theoretical weight: 17.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55212 (Residues: 30-179; Coverage: 51%)
Gene names: CASP6, MCH2
Sequence domains: Caspase domain
Caspase-6 subunit p11 Chains: B, D, F, H
Molecule details ›
Chains: B, D, F, H
Length: 109 amino acids
Theoretical weight: 12.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55212 (Residues: 194-293; Coverage: 34%)
Gene names: CASP6, MCH2
Sequence domains: Caspase domain

Ligands and Environments

2 bound ligands:
Ligand UCI 4 x UCI
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL45XU
Spacegroup: P21
Unit cell:
a: 84.77Å b: 60.88Å c: 101.26Å
α: 90° β: 91.41° γ: 90°
R-values:
R R work R free
0.217 0.215 0.263
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Exploring the significance of caspase-cleaved tau in tauopathies and as a complementary pathology to phospho-tau in Alzheimer's disease: implications for biomarker development and therapeutic targeting.
Rizzi et al. (2024)
1 other article

1 mention without citation

Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
Van Horn et al. (2023)