Structure of PDB 8jrv Chain A Binding Site BS01

Receptor Information
>8jrv Chain A (length=355) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRVFKKASPNGKLTVYLGKRDFVDHIDLVEPVDGVVLVDPEYLKERRVYV
TLTAAFRYGRFRKDLFVANVQSFPPAPEDKKPLTRLQERLIKKLGEHAYP
FTFEIPPNLPSSVTLQPGPEDTGKAIGVDYEVKAFVAENLEEKIHKRNSV
RLVIEKVQYAPERPGPQPTAETTRQFLMSDKPLHLEASLDKEIYYHGEPI
SVNVHVTNNTNKTVKKIKISVRQYADIVLFNTAQYKVPVAMEEADDTVAP
SSTFSKVYTLTPFLANNREKRGLALDGKLKHEDTNLASSTLLREGANREI
LGIIVSYKVKVKLVVSRGGLLGDLASSDVAVELPFTLMHPKPKEEPPHRE
VPEHE
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 chain8jrv 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

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PDB8jrv Tail engagement of arrestin at the glucagon receptor.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		R236 K324 K326
Binding residue
(residue number reindexed from 1)		R222 K310 K312
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001664 G protein-coupled receptor binding
GO:0003713 transcription coactivator activity
GO:0004402 histone acetyltransferase activity
GO:0004857 enzyme inhibitor activity
GO:0005096 GTPase activator activity
GO:0005159 insulin-like growth factor receptor binding
GO:0005515 protein binding
GO:0031625 ubiquitin protein ligase binding
GO:0031701 angiotensin receptor binding
GO:1990763 arrestin family protein binding
Biological Process
GO:0001934 positive regulation of protein phosphorylation
GO:0002031 G protein-coupled receptor internalization
GO:0002092 positive regulation of receptor internalization
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0007165 signal transduction
GO:0007601 visual perception
GO:0009968 negative regulation of signal transduction
GO:0015031 protein transport
GO:0016567 protein ubiquitination
GO:0031397 negative regulation of protein ubiquitination
GO:0032088 negative regulation of NF-kappaB transcription factor activity
GO:0032715 negative regulation of interleukin-6 production
GO:0032717 negative regulation of interleukin-8 production
GO:0035025 positive regulation of Rho protein signal transduction
GO:0043149 stress fiber assembly
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0045746 negative regulation of Notch signaling pathway
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0070374 positive regulation of ERK1 and ERK2 cascade
Cellular Component
GO:0000139 Golgi membrane
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005765 lysosomal membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005905 clathrin-coated pit
GO:0016604 nuclear body
GO:0030659 cytoplasmic vesicle membrane
GO:0030666 endocytic vesicle membrane
GO:0031143 pseudopodium
GO:0031410 cytoplasmic vesicle
GO:0042995 cell projection

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jrv, PDBe:8jrv, PDBj:8jrv
PDBsum8jrv
PubMed37558880
UniProtP49407|ARRB1_HUMAN Beta-arrestin-1 (Gene Name=ARRB1)

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