Structure of PDB 7kbh Chain B

Receptor sequence

>7kbhB (length=366) Species: 9606 (Homo sapiens)

KKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHK
ATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFE
FCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVL
AILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYYFPG
TGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAV
VLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRN
VARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPE
YMEKIKQRLFENLRML

3D structure

• PDB: 7kbh Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
• Chain: B
• Resolution: 2.68 Å

Enzymatic activity

• Enzyme Commision number: 3.5.1.-
  3.5.1.98: histone deacetylase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	D177 H179 D266	D168 H170 D257
BS02	CA	B	D175 D177 H179 S198 F199	D166 D168 H170 S189 F190
BS03	CA	B	F188 T191 V194 Y224	F179 T182 V185 Y215
BS04	WB4	B	G28 H29 P30 M31 D100 H142 G150 F151 C152 H179 F207 D266 L273 G302 G303	G19 H20 P21 M22 D91 H133 G141 F142 C143 H170 F198 D257 L264 G293 G294

Gene Ontology

Molecular Function

• GO:0004407 histone deacetylase activity

External links

• PDB: RCSB:7kbh, PDBe:7kbh, PDBj:7kbh
• PDBsum: 7kbh
• PubMed: 33335670
• UniProt: Q92769|HDAC2_HUMAN Histone deacetylase 2 (Gene Name=HDAC2)