Structure of PDB 6u8a Chain D Binding Site BS01

Receptor Information
>6u8a Chain D (length=617) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPPMESPFQREFDRDRLFSVVSRGVPEELTGLLEYLRWNSKYLTDSAYTE
GSTGKTCLMKAVLNLQDGVNACIMPLLQIDKDSGNPKLLVNAQCTDEFYQ
GHSALHIAIEKRSLQCVKLLVENGADVHLRACGRFFQKHQGTCFYFGELP
LSLAACTKQWDVVTYLLENPHQPASLEATDSLGNTVLHALVMIADNSPEN
SALVIHMYDGLLQMGARLCPTVQLEEISNHQGLTPLKLAAKEGKIEIFRH
ILQREFSGPYQPLSRKFTEWCYGPVRVSLYDLSSVDSWEKNSVLEIIAFH
CKSPNRHRMVVLEPLNKLLQEKWDRLVSRFFFNFACYLVYMFIFTVVAYH
QPSLFGESMLLLGHILILLGGIYLLLGQLWYFWRRRLFIWISFMDSYFEI
LFLLQALLTVLSQVLRFMETEWYLPLLVLSLVLGWLNLLYYTRGFQHTGI
YSVMIQKVILRDLLRFLLVYLVFLFGFAVALVSLSREARPAPYRSILDAS
LELFKFTIGMGELAFQEQLRFRGVVLLLLLAYVLLTYVLLLNMLIALMSE
TVNHVADNSWSIWKLQKAISVLEMENGYWWCRRKKHREGRLLKVGTPDER
WCFRVEEVNWAAWEKTL
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 chain6u8a Chain A Residue 1002 [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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PDB6u8a Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		L537 F540 L541 L637 M640
Binding residue
(residue number reindexed from 1)		L463 F466 L467 L540 M543
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006915 apoptotic process
GO:0008285 negative regulation of cell population proliferation
GO:0009266 response to temperature stimulus
GO:0045773 positive regulation of axon extension
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0090280 positive regulation of calcium ion import
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0030424 axon
GO:0032584 growth cone membrane
GO:0042470 melanosome
GO:0044295 axonal growth cone
GO:0044297 cell body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6u8a, PDBe:6u8a, PDBj:6u8a
PDBsum6u8a
PubMed31566564
UniProtQ9WUD2|TRPV2_RAT Transient receptor potential cation channel subfamily V member 2 (Gene Name=Trpv2)

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