Structure of PDB 6gxu Chain A

Receptor sequence
>6gxuA (length=391) Species: 6183 (Schistosoma mansoni) [Search protein sequence]
SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDS
PSRMYEAVTAFHSTEYVDALKKLQMLHCEEKLTADDELLMDSFSLNYDCP
GFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGFC
YLNDIVLAIHRLVSSQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFSVHHA
SPGFFPGTGTWNLPIFLNGAGRGRFSAFNLPLEEGINDLDWSNAIGPILD
SLNIVIQPSYVVVQCGADCLATDPHRIFRLTNFYPSLSGYLYAIKKILSW
KVPTLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTISPEIPEHSYFS
RYGPDFELDIDYFPDSIQKHHRRILEQLRNYADLNKLIYDY
3D structure
PDB6gxu Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChainA
Resolution1.917 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 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 D186 H188 D285 D175 H177 D268
BS02 FG8 A K20 D100 H141 H142 D186 H188 F216 P291 H292 Y341 K19 D98 H139 H140 D175 H177 F205 P274 H275 Y312 MOAD: ic50=180nM
PDBbind-CN: -logKd/Ki=3.74,IC50=180uM
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity
GO:0046872 metal ion binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006338 chromatin remodeling
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6gxu, PDBe:6gxu, PDBj:6gxu
PDBsum6gxu
PubMed29806110
UniProtA5H660

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