Structure of human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)

Structure

x-ray diffraction · 3 distinct chains.

Ligands and binding sites

• WBA · N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl) amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide · ligand · 3 copies · chains A, B, C
• WBD · 2,5-dichloro-1H-benzimidazole · ligand · chains B, C
• CA · Calcium ion · metal · 6 copies · chains A, B, C
• ZN · Zinc ion · metal · 3 copies · chains A, B, C
• SO4 · Sulfate ion · ion · 11 copies · chains A, B, C
• PEG · Di(hydroxyethyl)ether · additive · 7 copies · chains A, B, C
• DMS · Dimethyl sulfoxide · additive · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 7KBG · Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20) · the same entry in another collection · chain A against A, TM-score 1.00
• Q92769 · AlphaFold monomer V2.0 prediction for histone deacetylase 2 (Q92769) · a predicted model of the same protein · chain B against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q92769
• Elsewhere: RCSB PDB 7KBG · PDBe 7KBG · UniProt Q92769