› 3max

X-ray diffraction
2.05Å resolution

Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide

Released:
DOI: 10.2210/pdb3max/pdb
PDB entry 3max coloured by chain, front view.
PDB entry 3max coloured by chain, side view.
PDB entry 3max coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.
Bressi JC, Jennings AJ, Skene R, Wu Y, Melkus R, De Jong R, O'Connell S, Grimshaw CE, Navre M, Gangloff AR
Bioorg Med Chem Lett 20 3142-5 (2010)
PMID: 20392638

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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone deacetylase 2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 367 amino acids
Theoretical weight: 42.15 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q92769 (Residues: 9-374; Coverage: 75%)
Gene name: HDAC2
Sequence domains: Histone deacetylase domain
Structure domains: Histone deacetylase domain

Ligands and Environments

5 bound ligands:
Ligand ZN 3 x ZN
Ligand CA 3 x CA
Ligand NA 3 x NA
Ligand LLX 3 x LLX
Ligand NHE 1 x NHE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 92.311Å b: 97.227Å c: 138.849Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.164 0.204
Expression system: unidentified baculovirus

Quick links

Citations

28 review citations

New and emerging HDAC inhibitors for cancer treatment.
West et al. (2014)
27 more

74 mentions without citation

Erasers of histone acetylation: the histone deacetylase enzymes.
Seto et al. (2014)
73 more