Structure of PDB 5tgz Chain A Binding Site BS02

Receptor Information
>5tgz Chain A (length=439) Species: 882,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGRGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSR
SLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGG
VTASFTASVGSLFLAAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAI
VIAVLPLLGWNCEKLQSVCSDIFPHIDKTYLMFWIGVVSVLLLFIVYAYM
YILWKAHSHAVAKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAAS
VEAGGLFEGFDLVLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVAC
FGCGDSSWEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGW
AHDVRGAIPDQARMDIELAKTLVLILVVLIICWGPLLAIMVYDVFGKMNK
LIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMF
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain5tgz Chain A Residue 2002 [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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PDB5tgz Crystal Structure of the Human Cannabinoid Receptor CB1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S1010 T1012 N1014 T1015 S1058 T1059 W1060 G1061 C1093 G1094 D1095 W1098 Y1100 F1101
Binding residue
(residue number reindexed from 1)		S220 T222 N224 T225 S268 T269 W270 G271 C303 G304 D305 W308 Y310 F311
Annotation score4
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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Biological Process
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Cellular Component
External links
PDB RCSB:5tgz, PDBe:5tgz, PDBj:5tgz
PDBsum5tgz
PubMed27768894
UniProtP00323|FLAV_NITV2 Flavodoxin (Gene Name=DVU_2680);
P21554|CNR1_HUMAN Cannabinoid receptor 1 (Gene Name=CNR1)

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