Structure of PDB 8v6l Chain C Binding Site BS01

Receptor Information
>8v6l Chain C (length=653) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSPPVFSKPMDSNIRQCIRRLKKRIFAAVSEGCVEELVELLVELQELCRR
RHDEDVPDFLMHKLTASDTGKTCLMKALLNINPNTKEIVRILLAFAEEND
ILGRFINAEYTEEAYEGQTALNIAIERRQGDIAALLIAAGADVNAHAKGA
FFNPKYQHEGFYFGETPLALAACTNQPEIVQLLMEHEQTDITSRDSRGNN
ILHALVTVAEDFKTQNDFVKRMYDMILLRSGNWELETTRNNDGLTPLQLA
AKMGKAEILKYILSREIKEKRLRSLSRKFTDWAYGPVSSSLYDLTNVDTT
TDNSVLEITVYNTNIDNRHEMLTLEPLHTLLHMKWKKFAKHMFFLSFCFY
FFYNITLTLVSYYRPREEEAIPHPLALTHKMGWLQLLGRMFVLIWAMCIS
VKEGIAIFLLRPSDLQSILSDAWFHFVFFIQAVLVILSVFLYLFAYKEYL
ACLVLAMALGWANMLYYTRGFQSMGMYSVMIQKVILHDVLKFLFVYIVFL
LGFGVALASLIEKCPKDNKDCSSYGSFSDAVLELFKLTIGLGDLNIQQNS
KYPILFLFLLITYVILTFVLLLNMLIALMGETVENVSKESERIWRLQRAR
TILEFEKMLPEWLRSRFRMGELCKVAEDDFRLCLRINEVKWTEWKTHVSF
LNE
Ligand information
Ligand IDI8E
InChIInChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
InChIKeyZROLHBHDLIHEMS-HUUCEWRRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O
OpenEye OEToolkits 2.0.7CCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O
ACDLabs 12.01CCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1
CACTVS 3.385CCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
CACTVS 3.385CCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1
FormulaC19 H26 O2
NameTetrahydrocannabivarin;
(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol;
THCV;
THV;
O-4394;
GWP42004
ChEMBLCHEMBL2387541
DrugBankDB11755
ZINCZINC000005649505
PDB chain8v6l Chain C Residue 905 [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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PDB8v6l TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site
Resolution3.68 Å
Binding residue
(original residue number in PDB)		W521 L557 A560 N561 I579
Binding residue
(residue number reindexed from 1)		W423 L459 A462 N463 I481
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
Biological Process
GO:0006811 monoatomic ion transport
GO:0009266 response to temperature stimulus
GO:0042636 negative regulation of hair cycle
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0090280 positive regulation of calcium ion import
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043235 receptor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8v6l, PDBe:8v6l, PDBj:8v6l
PDBsum8v6l
PubMed38691614
UniProtQ8NET8|TRPV3_HUMAN Transient receptor potential cation channel subfamily V member 3 (Gene Name=TRPV3)

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