Structure of PDB 8ijk Chain D Binding Site BS02

Receptor Information
>8ijk Chain D (length=337) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNAFYRKLQNFLYNVLERPRGWAFIYHAYVFLLVFSCLVLSVFSTIKEYE
KSSEGALYILEIVTIVVFGVEYFVRIWAAGCCCRYRGWRGRLKFARKPFC
VIDIMVLIASIAVLASALRSLRFLQILRMIRMDRRGGTWKLLGSVVYAHS
KELVTAWYIGFLCLILASFLVYLAEKGENDHFDTYADALWWGLITLTTIG
YGDKYPQTWNGRLLAATFTLIGVSFFALPAGILGSGFALKVQEQHRQKHF
EKRRNPAAGLIQSAWRFYATNGLKVSIRAVCVMRFLVSKRKFKESLRPYD
VMDVIEQYSAGHLDMLSRIKSLQSRVDQIVGRGPAIT
Ligand information
Ligand ID7PN
InChIInChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKeyVROYHHCUXRMIQY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c(ccc(c3c1)NC(=O)c4ccc(cc4)F)CC2
CACTVS 3.385Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34
FormulaC19 H14 F N O
NameN-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide
ChEMBL
DrugBank
ZINC
PDB chain8ijk Chain D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8ijk A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		S303 F304
Binding residue
(residue number reindexed from 1)		S224 F225
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ijk, PDBe:8ijk, PDBj:8ijk
PDBsum8ijk
PubMed38167918
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

[Back to BioLiP]