Structure of PDB 7kbg Chain A

Receptor sequence

>7kbgA (length=368) Species: 9606 (Homo sapiens) [Search protein sequence]

GKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRP
HKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGL
FEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDI
VLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFP
GTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSA
VVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIR
NVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTP
EYMEKIKQRLFENLRMLP

3D structure

PDB

7kbg Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.

Chain

Resolution

1.26 Å

3D
structure

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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	A	D177 H179 D265	D170 H172 D258
BS02	CA	A	D175 D177 H179 S198 F199	D168 D170 H172 S191 F192
BS03	CA	A	F188 T191 V194 Y223	F181 T184 V187 Y216
BS04	WBA	A	G28 H29 P30 M31 D100 G139 H141 H142 G150 F151 C152 D177 H179 F206 G301 G302 Y304	G21 H22 P23 M24 D93 G132 H134 H135 G143 F144 C145 D170 H172 F199 G294 G295 Y297	MOAD: ic50=29nM

Gene Ontology

	Molecular Function
GO:0004407	histone deacetylase activity

View graph for
Molecular Function

External links

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

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