Structure of PDB 7cr1 Chain B Binding Site BS01

Receptor Information
>7cr1 Chain B (length=250) 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
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 chain7cr1 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cr1 Molecular basis for ligand activation of the human KCNQ2 channel.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		F137 F168 I171 D172 V175 R210
Binding residue
(residue number reindexed from 1)		F68 F99 I102 D103 V106 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:7cr1, PDBe:7cr1, PDBj:7cr1
PDBsum7cr1
PubMed32884139
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

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