Structure of PDB 6xec Chain B

Receptor sequence
>6xecB (length=366) Species: 9606 (Homo sapiens) [Search protein sequence]
KKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHK
ATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFE
FCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVL
AILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGT
GDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVV
LQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNV
ARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEY
MEKIKQRLFENLRMLP
3D structure
PDB6xec Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
ChainB
Resolution1.701 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 B D177 H179 D265 D168 H170 D256
BS02 CA B D175 D177 H179 S198 F199 D166 D168 H170 S189 F190
BS03 CA B F188 T191 V194 Y223 F179 T182 V185 Y214
BS04 V1S B P30 E99 D100 H141 H142 G150 F151 H179 F206 G302 Y304 P21 E90 D91 H132 H133 G141 F142 H170 F197 G293 Y295
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity

View graph for
Molecular Function
External links
PDB RCSB:6xec, PDBe:6xec, PDBj:6xec
PDBsum6xec
PubMed32738976
UniProtQ92769|HDAC2_HUMAN Histone deacetylase 2 (Gene Name=HDAC2)

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