Structure of PDB 7vnr Chain A Binding Site BS01

Receptor Information
>7vnr Chain A (length=333) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAAHKRYRRLQNWVYNVLERPRGWAFVYHVFIFLLVFSCLVLSVLSTIQE
HQELANECLLILEFVMIVVFGLEYIVRVWSAGCCCRYRGWQGRFRFARKP
FCVIDFIVFVASVAVIAAATSALRSMRFLQILRMVRMDRRGGTWKLLGSV
VYAHSKELITAWYIGFLVLIFASFLVYLAEKDANSDFSSYADSLWWGTIT
LTTIGYGDKTPHTWLGRVLAAGFALLGISFFALPAGILGSGFALKVQEQH
RQKHFEKRRMPAANLIQAAWRLYSTDTVIRSIRILKFLVAKRKFKETLRP
YDVKDVIEQYSAGHLDMLGRIKSLQTRVDQIVG
Ligand information
Ligand ID7YV
InChIInChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)/t13-,14+,15+/m1/s1
InChIKeySIQGKPGBLYKQBB-ILXRZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C
CACTVS 3.385Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)NC(=O)C2CC3CCC2C3)C
CACTVS 3.385Cc1cc(C)c(NC(=O)[CH]2C[CH]3CC[CH]2C3)c(C)c1
FormulaC17 H23 N O
Name(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid
ChEMBL
DrugBank
ZINC
PDB chain7vnr Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7vnr Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W242 F311 P314
Binding residue
(residue number reindexed from 1)		W162 F231 P234
Annotation score1
Binding affinityBindingDB: EC50=1600nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
GO:0015144 carbohydrate transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0007605 sensory perception of sound
GO:0008643 carbohydrate transport
GO:0042472 inner ear morphogenesis
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7vnr, PDBe:7vnr, PDBj:7vnr
PDBsum7vnr
PubMed34767770
UniProtP56696|KCNQ4_HUMAN Potassium voltage-gated channel subfamily KQT member 4 (Gene Name=KCNQ4)

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