Structure of PDB 8zr5 Chain C Binding Site BS01

Receptor Information

>8zr5 Chain C (length=284) Species: 9606 (Homo sapiens)

SFGVILAVLASLIIATNTLVAVAVLLLIHKNDGVSLCFTLNLAVADTLIG
VAISGLLTDQLSSPSRPTQKTLCSLRMAFVTSSAAASVLTVMLITFDRYL
AIKQPFRYLKIMSGFVAGACIAGLWLVSYLIGFLPLGIPMFQQTAYKGQC
SFFAVFHPHFVLTLSCVGFFPAMLLFVFFYCDMLKIASMHSQQIRKMEHA
GAMAGDFKALRTVSVLIGSFALSWTPFLITGIVQVACQECHLYLVLERYL
WLLGVGNSLLNPLIYAYWQKEVRLQLYHMALGVK

Ligand information

• Ligand ID: A1D8M
• InChI: InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1
• InChIKey: LRXRIKVDAVVQCP-SPLOXXLWSA-N
• SMILES:
  CACTVS 3.385: CC[C@@H](Oc1ccc(cc1)C(=O)C2CC2)c3onc(n3)c4ccc(C(=O)N[C@H](C)CO)c(F)c4
  OpenEye OEToolkits 2.0.7: CCC(c1nc(no1)c2ccc(c(c2)F)C(=O)NC(C)CO)Oc3ccc(cc3)C(=O)C4CC4
  OpenEye OEToolkits 2.0.7: CC[C@H](c1nc(no1)c2ccc(c(c2)F)C(=O)N[C@H](C)CO)Oc3ccc(cc3)C(=O)C4CC4
  CACTVS 3.385: CC[CH](Oc1ccc(cc1)C(=O)C2CC2)c3onc(n3)c4ccc(C(=O)N[CH](C)CO)c(F)c4
• Formula: C25 H26 F N3 O5
• Name: 4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide;
  Firuglipel
• PDB chain: 8zr5 Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

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• PDB: 8zr5 Cryo-EM structure of GPR119-Gs complex
• Resolution: 3.31 Å
• Binding residue (original residue number in PDB): A90 L94 S156 F157 L169 F174 W238 F241 R262 W265
• Binding residue (residue number reindexed from 1): A85 L89 S151 F152 L164 F169 W224 F227 R248 W251
• Annotation score: 1

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:0043235 receptor complex

External links

• PDB: RCSB:8zr5, PDBe:8zr5, PDBj:8zr5
• PDBsum: 8zr5
• UniProt: Q8TDV5|GP119_HUMAN Glucose-dependent insulinotropic receptor (Gene Name=GPR119)

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