Structure of PDB 7m6q Chain D Binding Site BS03

Receptor Information
>7m6q Chain D (length=359) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPSEFLDKLMGKVSGYDARIRPNFKGPPVNVTCNIFINSFGSIAETTMD
YRVNIFLRQQWNDPRLAYSEYPDDSLDLDPSMLDSIWKPDLFFANEKGAN
FHEVTTDNKLLRISKNGNVLYSIRITLVLACPMDLKNFPMDVQTCIMQLE
SFGYTMNDLIFEWDEKGAVQVADGLTLPQFILKEEKDLRYCTKHYNTGKF
TCIEARFHLERQMGYYLIQMYIPSLLIVILSWVSFWINMDAAPARVGLGI
TTVLTMTTQSSGSRASLPKVSYVKAIDIWMAVCLLFVFSALLEYAAVNFI
ARQHKELLRFKTVEEMRKLFISRAKRIDTVSRVAFPLVFLIFNIFYWITY
KIIRSEDIH
Ligand information
Ligand IDTCI
InChIInChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
InChIKeyCYQFCXCEBYINGO-IAGOWNOFSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1
CACTVS 3.352CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
OpenEye OEToolkits 1.7.0CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O
OpenEye OEToolkits 1.7.0CCCCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O
FormulaC21 H30 O2
Name(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol;
Tetrahydrocannabinol
ChEMBLCHEMBL465
DrugBankDB00470
ZINCZINC000001530625
PDB chain7m6q Chain D Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7m6q Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		S320 E324 F418
Binding residue
(residue number reindexed from 1)		S289 E293 F335
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
GO:0016594 glycine binding
GO:0016934 extracellularly glycine-gated chloride channel activity
GO:0022824 transmitter-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006821 chloride transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0045211 postsynaptic membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7m6q, PDBe:7m6q, PDBj:7m6q
PDBsum7m6q
PubMed35982060
UniProtO93430|GLRA1_DANRE Glycine receptor subunit alphaZ1 (Gene Name=glra1)

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