Structure of PDB 7mos Chain A

Receptor sequence
>7mosA (length=368) Species: 9606 (Homo sapiens) [Search protein sequence]
GKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRP
HKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGL
FEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDI
VLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFP
GTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSA
VVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIR
NVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTP
EYMEKIKQRLFENLRMLP
3D structure
PDB7mos Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
ChainA
Resolution1.704 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 V194 Y223 F181 V187 Y216
BS04 ZLV A P30 D100 H141 H142 G150 F151 D177 H179 F206 Y304 P23 D93 H134 H135 G143 F144 D170 H172 F199 Y297
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity

View graph for
Molecular Function
External links
PDB RCSB:7mos, PDBe:7mos, PDBj:7mos
PDBsum7mos
PubMed34091041
UniProtQ92769|HDAC2_HUMAN Histone deacetylase 2 (Gene Name=HDAC2)

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