Structure of PDB 6gx3 Chain B

Receptor sequence
>6gx3B (length=408) Species: 6183 (Schistosoma mansoni) [Search protein sequence]
SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDS
PSRMYEAVTAFHSTEYVDALKKLQMLHCELTADDELLMDSFSLNYDCPGF
PSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGFCYL
NDIVLAIHRLVSSTQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFSVHHAS
PGFFPGTGTWNIFLNGAGRGRFSAFNLPLEEGINDLDWSNAIGPILDSLN
IVIQPSYVVVQCGADCLATDPHRIFRLTNFYPSLSGYLYAIKKILSWKVP
TLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTISPEIPEHSYFSRYG
PDFELDIDYFPHEDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLT
GMGSLVPR
3D structure
PDB6gx3 Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChainB
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 B D186 H188 D285 D174 H176 D265
BS02 FF2 B H141 H142 D186 H188 F216 H292 Y341 H137 H138 D174 H176 F204 H272 Y309 MOAD: ic50=250nM
BS03 FF2 B E131 L327 K330 V331 V361 E127 L295 K298 V299 V329 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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