Structure of PDB 6gxw Chain A

Receptor sequence
>6gxwA (length=397) Species: 6183 (Schistosoma mansoni) [Search protein sequence]
SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDS
PSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNYDC
PGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGF
CYLNDIVLAIHRLVSSQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFSVHH
ASPGFFPGTGTWNPIFLNGAGRGRFSAFNLPLEEGINDLDWSNAIGPILD
SLNIVIQPSYVVVQCGADCLATDPHRIFRLTNFYPLSGYLYAIKKILSWK
VPTLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTISPEIPEHSYFSR
YGPDFELDIDYFPDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLY
3D structure
PDB6gxw Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChainA
Resolution2.071 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 D176 H178 D268
BS02 FGN A K20 H142 H188 F216 H292 Y341 K19 H141 H178 F206 H275 Y311 MOAD: ic50=440nM
PDBbind-CN: -logKd/Ki=3.36,IC50=440uM
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:6gxw, PDBe:6gxw, PDBj:6gxw
PDBsum6gxw
PubMed29806110
UniProtA5H660

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