Structure of PDB 8jiu Chain R Binding Site BS02

Receptor Information
>8jiu Chain R (length=395) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVMDFLFEKWKLYGDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPANTT
ANISCPWYLPWHHKVQHRFVFKRCGPDGQWVRGPRGQPWRDASQCQMDGE
EIEVQKEVAKMYSSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAI
HANLFASFVLKASSVLVIDGLLRTRYSQKIGDDLSVSTWLSDGAVAGCRV
AAVFMQYGIVANYCWLLVEGLYLHNLLGLATLPERSFFSLYLGIGWGAPM
LFVVPWAVVKCLFENVQCWTSNDNMGFWWILRFPVFLAILINFFIFVRIV
QLLVAKLRARQMHHTDYKFRLAKSTLTLIPLLGVHEVVFAFVTDEHAQGT
LRSAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRWRLG
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 chain8jiu Chain P Residue 101 [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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PDB8jiu Structural analysis of the dual agonism at GLP-1R and GCGR.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		Q142 T146 V147 S150 L151 R199
Binding residue
(residue number reindexed from 1)		Q116 T120 V121 S124 L125 R173
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:0005085 guanyl-nucleotide exchange factor activity
GO:0017046 peptide hormone binding
GO:0038023 signaling receptor activity
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006887 exocytosis
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007584 response to nutrient
GO:0008217 regulation of blood pressure
GO:0009267 cellular response to starvation
GO:0009755 hormone-mediated signaling pathway
GO:0010628 positive regulation of gene expression
GO:0042593 glucose homeostasis
GO:0042594 response to starvation
GO:0070873 regulation of glycogen metabolic process
GO:0071377 cellular response to glucagon stimulus
Cellular Component
GO:0005768 endosome
GO:0005886 plasma membrane
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:8jiu, PDBe:8jiu, PDBj:8jiu
PDBsum8jiu
PubMed37549266
UniProtP47871|GLR_HUMAN Glucagon receptor (Gene Name=GCGR)

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