Structure of PDB 6g3o Chain A

Receptor sequence
>6g3oA (length=369) Species: 9606 (Homo sapiens) [Search protein sequence]
GGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYR
PHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDG
LFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVND
IVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYF
PGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPS
AVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTI
RNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNT
PEYMEKIKQRLFENLRMLP
3D structure
PDB6g3o Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
ChainA
Resolution2.27 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 D181 H183 D269 D171 H173 D259
BS02 CA A D179 D181 H183 F203 D169 D171 H173 F193
BS03 EL8 A G32 H33 P34 D104 H145 H146 G154 F155 D181 H183 F210 L276 Y308 G22 H23 P24 D94 H135 H136 G144 F145 D171 H173 F200 L266 Y298 PDBbind-CN: -logKd/Ki=9.24,Ki=0.58nM
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity

View graph for
Molecular Function
External links
PDB RCSB:6g3o, PDBe:6g3o, PDBj:6g3o
PDBsum6g3o
PubMed30122227
UniProtQ92769|HDAC2_HUMAN Histone deacetylase 2 (Gene Name=HDAC2)

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