Structure of PDB 7wcm Chain R Binding Site BS01

Receptor Information
>7wcm Chain R (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSFGVILAVLASLIIATNTLVAVAVLLLIHKNDGVSLCFTLNLAVADTLI
GVAISGLLTDQLSSPSRPTQKTLCSLRMAFVTSSAAASVLTVMLITFDRY
LAIKQPFRYLKIMSGFVAGACIAGLWLVSYLIGFLPLGIPMFQQTAYKGQ
CSFFAVFHPHFVLTLSCVGFFPAMLLFVFFYCDMLKIASMHSQQIRKMEH
AGAMAGGYDFKALRTVSVLIGSFALCWTPFLITGIVQVACQECHLYLVLE
RYLWLLGVGNSLLNPLIYAYWQKEVRLQLYHMALGVKKV
Ligand information
Ligand ID8VP
InChIInChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
InChIKeyNFTMKHWBOINJGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1cnc(nc1)N2CCC(CC2)c3nc(cs3)COc4ccc(cc4)n5cnnn5
CACTVS 3.385CCc1cnc(nc1)N2CCC(CC2)c3scc(COc4ccc(cc4)n5cnnn5)n3
FormulaC22 H24 N8 O S
Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;
MBX-2982
ChEMBLCHEMBL3260505
DrugBankDB12345
ZINCZINC000073069252
PDB chain7wcm Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wcm Activation and signaling mechanism revealed by GPR119-G s complex structures.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		F7 A89 A90 F157 V166 L169 G173 F174 E261 W265
Binding residue
(residue number reindexed from 1)		F3 A85 A86 F153 V162 L165 G169 F170 E250 W254
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0031210 phosphatidylcholine binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0019222 regulation of metabolic process
GO:0030073 insulin secretion
Cellular Component
GO:0005737 cytoplasm
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:7wcm, PDBe:7wcm, PDBj:7wcm
PDBsum7wcm
PubMed36396650
UniProtQ8TDV5|GP119_HUMAN Glucose-dependent insulinotropic receptor (Gene Name=GPR119)

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