Structure of PDB 8x43 Chain E Binding Site BS02

Receptor Information
>8x43 Chain E (length=327) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNAFYRKLQNFLYNVLERPRGWAFIYHAYVFLLVFSCLVLSVFSTIKEYE
KSSEGALYILEIVTIVVFGVEYFVRIWAAGCCCRYRGWRGRLKFARKPFC
VIDIMVLIASIAVSALRSLRFLQILRMIRMDRRGGTWKLLGSVVYAHSKE
LVTAWYIGFLCLILASFLVYLAEKGENDHFDTYADALWWGLITLTTIGYG
DKYPQTWNGRLLAATFTLIGVSFFALPAGILGSGFALKVQEQHRQKHFEK
RRNPAAGLIQSAWRFYATNVSIRAVCVMRFLVSKRKFKESLRPYDVMDVI
EQYSAGHLDMLSRIKSLQSRVDQIVGR
Ligand information
Ligand ID7Q0
InChIInChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23)
InChIKeyXFOBJVGGSATXHM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)c(c(cc3CC2)N)NC(=O)c4ccc(cc4)F
FormulaC19 H15 F N2 O
NameN-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide
ChEMBL
DrugBank
ZINC
PDB chain8x43 Chain G Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8x43 A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		W236 F305 P308
Binding residue
(residue number reindexed from 1)		W155 F224 P227
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8x43, PDBe:8x43, PDBj:8x43
PDBsum8x43
PubMed38167918
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

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