Structure of PDB 7cr4 Chain F Binding Site BS01

Receptor Information
>7cr4 Chain F (length=349) 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
EKRRNPAAGLIQSAWRFYATNLSRTDLHSTWQYYERTVGLKVSIRAVCVM
RFLVSKRKFKESLRPYDVMDVIEQYSAGHLDMLSRIKSLQSRVDQIVGR
Ligand information
Ligand IDGB9
InChIInChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKeyURPKVELJRWKNQS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F
FormulaC12 H8 Cl F N2 O
NameN-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide;
ztz240
ChEMBLCHEMBL1454208
DrugBank
ZINCZINC000004106322
PDB chain7cr4 Chain F Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cr4 Molecular basis for ligand activation of the human KCNQ2 channel.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		F137 F168 D172 V175 L176 S179 R210
Binding residue
(residue number reindexed from 1)		F68 F99 D103 V106 L107 S110 R131
Annotation score1
Binding affinityBindingDB: EC50=980nM
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:7cr4, PDBe:7cr4, PDBj:7cr4
PDBsum7cr4
PubMed32884139
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

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