Structure of PDB 8jip Chain R Binding Site BS02

Receptor Information
>8jip Chain R (length=386) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGS
FVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEEP
EEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASF
ILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCV
AANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIV
KYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKA
NLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTE
LSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLE
Ligand information
Ligand IDD6M
InChIInChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
InChIKeyKMAOMYOPEIRFLB-SFHVURJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 12.01O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC
FormulaC21 H39 N O5
NameN-hexadecanoyl-L-glutamic acid
ChEMBL
DrugBank
ZINCZINC000028538229
PDB chain8jip Chain P Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jip Structural analysis of the dual agonism at GLP-1R and GCGR.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		Y145 T149 A153 L154 S157 K202
Binding residue
(residue number reindexed from 1)		Y108 T112 A116 L117 S120 K165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0004967 glucagon receptor activity
GO:0005515 protein binding
GO:0017046 peptide hormone binding
GO:0038023 signaling receptor activity
GO:0044508 glucagon-like peptide 1 receptor activity
Biological Process
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007190 activation of adenylate cyclase activity
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007611 learning or memory
GO:0008016 regulation of heart contraction
GO:0019933 cAMP-mediated signaling
GO:0031204 post-translational protein targeting to membrane, translocation
GO:0045776 negative regulation of blood pressure
GO:0045777 positive regulation of blood pressure
GO:0046879 hormone secretion
GO:0071377 cellular response to glucagon stimulus
GO:1990911 response to psychosocial stress
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:8jip, PDBe:8jip, PDBj:8jip
PDBsum8jip
PubMed37549266
UniProtP43220|GLP1R_HUMAN Glucagon-like peptide 1 receptor (Gene Name=GLP1R)

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