Structure of PDB 8jru Chain R Binding Site BS01

Receptor Information
>8jru Chain R (length=267) Species: 9606,392809 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAIHANLFASFVLKA
SSVLVIDGLLRTRAVAGCRVAAVFMQYGIVANYCWLLVEGLYLHNLLGER
SFFSLYLGIGWGAPMLFVVPWAVVKCLFENVQCWTSNDNMGFWWILRFPV
FLAILINFFIFVRIVQLLVAKLRARQMHHTDYKFRLAKSTLTLIPLLGVH
EVVFAFAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRWRLGKV
LWEERESCTTASSSLAK
Ligand information
Ligand IDPIO
InChIInChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
InChIKeyXLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
FormulaC25 H49 O19 P3
Name[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
ChEMBL
DrugBank
ZINCZINC000097972490
PDB chain8jru Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8jru Tail engagement of arrestin at the glucagon receptor.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G165 L169
Binding residue
(residue number reindexed from 1)		G27 L31
Annotation score1
Enzymatic activity
Enzyme Commision number ?
3.4.21.69: protein C (activated).
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jru, PDBe:8jru, PDBj:8jru
PDBsum8jru
PubMed37558880
UniProtP03435;
P04070|PROC_HUMAN Vitamin K-dependent protein C (Gene Name=PROC);
P30518|V2R_HUMAN Vasopressin V2 receptor (Gene Name=AVPR2);
P47871|GLR_HUMAN Glucagon receptor (Gene Name=GCGR)

[Back to BioLiP]