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Structure of PDB 7v3z Chain A Binding Site BS01

Receptor Information
>7v3z Chain A (length=431) Species: 882,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRP
SYLFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFT
ASVGSLFLAAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLP
LLGWNCEKLQSVCSDIFPHIDKTYLMFWIGVVSVLLLFIVYAYMYILWKA
HSHAVAKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGL
FEGFDLVLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDS
SWEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRG
AIRMDIELAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCS
MLCLLNSTVNPIIYALRSKDLRHAFRSMFPS
Ligand information
Ligand ID9GF
InChIInChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
InChIKeyYNZFFALZMRAPHQ-SYYKKAFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
OpenEye OEToolkits 2.0.6CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O
CACTVS 3.385CCCCCCC(C)(C)c1ccc([CH]2C[CH](O)CC[CH]2CCCO)c(O)c1
OpenEye OEToolkits 2.0.6CCCCCCC(C)(C)c1ccc(c(c1)O)C2CC(CCC2CCCO)O
ACDLabs 12.01CCCCCCC(C)(C)c2ccc(C1C(CCC(C1)O)CCCO)c(c2)O
FormulaC24 H40 O3
Name2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
ChEMBLCHEMBL559612
DrugBank
ZINCZINC000002568244
PDB chain7v3z Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7v3z A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1.
Resolution3.29 Å
Binding residue
(original residue number in PDB)		F170 S173 F174 F177 K192 L193 V196 I267 F268 Y275 W279 F501
Binding residue
(residue number reindexed from 1)		F69 S72 F73 F76 K91 L92 V95 I166 F167 Y174 W178 F396
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004949 cannabinoid receptor activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:7v3z, PDBe:7v3z, PDBj:7v3z
PDBsum7v3z
PubMed34596399
UniProtP00323|FLAV_NITV2 Flavodoxin (Gene Name=DVU_2680);
P21554|CNR1_HUMAN Cannabinoid receptor 1 (Gene Name=CNR1)

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