Structure of PDB 7bym Chain C Binding Site BS01

Receptor Information
>7bym Chain C (length=354) Species: 6100,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAAHKRYRRLQNWVYNVLERPRGWAFVYHVFIFLLVFSCLVLSVLSTIQE
HQELANECLLILEFVMIVVFGLEYIVRVWSAGCCCRYRGWQGRFRFARKP
FCVIDFIVFVASVAVIAAGTATSALRSMRFLQILRMVRMDRRGGTWKLLG
SVVYAHSKELITAWYIGFLVLIFASFLVYLAEKDANSDFSSYADSLWWGT
ITLTTIGYGDKTPHTWLGRVLAAGFALLGISFFALPAGILGSGFALKVQE
QHRQKHFEKRRMPAANLIQAAWRLYSTDMSRAYLTATWYDDIMPAVKTVI
RSIRILKFLVAKRKFKETLRPYDVKDVIEQYSAGHLDMLGRIKSLQTRVD
QIVG
Ligand information
Ligand IDFBX
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKeyPCOBBVZJEWWZFR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
CACTVS 3.385CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
FormulaC16 H18 F N3 O2
Nameethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;
Retigabine, Ezogabine
ChEMBLCHEMBL41355
DrugBankDB04953
ZINCZINC000000016154
PDB chain7bym Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bym Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		L305 S309
Binding residue
(residue number reindexed from 1)		L227 S231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0007605 sensory perception of sound
GO:0008218 bioluminescence
GO:0042472 inner ear morphogenesis
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005575 cellular_component
GO:0005886 plasma membrane
GO:0008076 voltage-gated potassium channel complex
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7bym, PDBe:7bym, PDBj:7bym
PDBsum7bym
PubMed33238160
UniProtP42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP);
P56696|KCNQ4_HUMAN Potassium voltage-gated channel subfamily KQT member 4 (Gene Name=KCNQ4)

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