Structure of PDB 7js8 Chain B

Receptor sequence
>7js8B (length=365) Species: 9606 (Homo sapiens) [Search protein sequence]
KVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKA
TAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEF
CQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLA
ILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTG
DLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVL
QCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVA
RCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYM
EKIKQRLFENLRMLP
3D structure
PDB7js8 Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
ChainB
Resolution1.634 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 D167 H169 D255
BS02 CA B D175 D177 H179 S198 F199 D165 D167 H169 S188 F189
BS03 CA B F188 T191 V194 Y223 F178 T181 V184 Y213
BS04 VJV B G28 H29 P30 E99 D100 H141 H142 G150 F151 H179 F206 L272 G302 Y304 G18 H19 P20 E89 D90 H131 H132 G140 F141 H169 F196 L262 G292 Y294
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity

View graph for
Molecular Function
External links
PDB RCSB:7js8, PDBe:7js8, PDBj:7js8
PDBsum7js8
PubMed33797924
UniProtQ92769|HDAC2_HUMAN Histone deacetylase 2 (Gene Name=HDAC2)

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