› 4bz6

X-ray diffraction
2Å resolution

Function and Biology Details

Reaction catalysed: 
Hydrolysis of an N(6)-acetyl-lysine residue of a histone to yield a deacetylated histone
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-500564 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
histone deacetylase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 446 amino acids
Theoretical weight: 50.44 KDa
Source organism: Schistosoma mansoni
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A5H660 (Residues: 1-440; Coverage: 100%)
Gene name: HDAC8
Sequence domains: Histone deacetylase domain
Structure domains: Histone deacetylase domain

Ligands and Environments

5 bound ligands:
Ligand ZN 4 x ZN
Ligand K 8 x K
Ligand GOL 4 x GOL
Ligand SHH 4 x SHH
Ligand DMF 3 x DMF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P1
Unit cell:
a: 70.64Å b: 70.64Å c: 97.99Å
α: 77.88° β: 75.48° γ: 85.69°
R-values:
R R work R free
0.165 0.163 0.191
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

20 review citations

Histone deacetylase inhibitors in clinical studies as templates for new anticancer agents.
Mottamal et al. (2015)
19 more

3 mentions without citation

Mercaptoacetamide: A promising zinc-binding group for the discovery of selective histone deacetylase 6 inhibitors.
Tavares et al. (2021)
2 more