Structure of PDB 8j00 Chain B Binding Site BS01

Receptor Information
>8j00 Chain B (length=326) 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
EKRRNPAAGLIQSAWRFYATNRAVCVMRFLVSKRKFKESLRPYDVMDVIE
QYSAGHLDMLSRIKSLQSRVDQIVGR
Ligand information
Ligand IDP0T
InChIInChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChIKeyQHMBSVQNZZTUGM-ZWKOTPCHSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(=C)(\C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC)O
OpenEye OEToolkits 2.0.6CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O
CACTVS 3.385CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1
OpenEye OEToolkits 2.0.6CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
CACTVS 3.385CCCCCc1cc(O)c([CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1
FormulaC21 H30 O2
Namecannabidiol;
(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
ChEMBLCHEMBL190461
DrugBankDB09061
ZINCZINC000004097406
PDB chain8j00 Chain A Residue 801 [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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PDB8j00 Ligand activation mechanisms of human KCNQ2 channel.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L232 W236 F305 P308
Binding residue
(residue number reindexed from 1)		L153 W157 F226 P229
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8j00, PDBe:8j00, PDBj:8j00
PDBsum8j00
PubMed37857637
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

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