Structure of PDB 6gx3 Chain D

Receptor sequence
>6gx3D (length=399) Species: 6183 (Schistosoma mansoni) [Search protein sequence]
SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDS
PSRMYEAVTAFHSTEYVDALKKLQMLHCEEELTADDELLMDSFSLNYDCP
GFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGFC
YLNDIVLAIHRLVSSTQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFSVHH
ASPGFFPGTGTWNLPIFLNGAGRGRFSAFNLPLEEGINDLDWSNAIGPIL
DSLNIVIQPSYVVVQCGADCLATDPHRIFRLTNFYPSLSGYLYAIKKILS
WKVPTLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTISPEIPEHSYF
SRYGPDFELDIDYFPDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLY
3D structure
PDB6gx3 Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChainD
Resolution2.1 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 D D186 H188 D285 D176 H178 D269
BS02 FF2 D D100 H141 H142 G150 F151 D186 H188 F216 Y341 D98 H139 H140 G148 F149 D176 H178 F206 Y313 MOAD: ic50=250nM
BS03 FF2 D E131 K330 V331 P332 E129 K302 V303 P304 MOAD: ic50=250nM
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:6gx3, PDBe:6gx3, PDBj:6gx3
PDBsum6gx3
PubMed29806110
UniProtA5H660

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