Structure of PDB 8gw8 Chain A Binding Site BS01

Receptor Information
>8gw8 Chain A (length=230) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRNEEKAQREANKKIEKQLQKDKQVYRATHRLLLLGADNSGKSTIVKQMR
IGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVDSSDYN
RLQEALNLFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPE
FARYTTPEDATPEPGEDPRVTRAKYFIRDEFLRISTASGDGRHYCYPHFT
CAVDTENARRIFNDCRDIIQRMHLRQYELL
Ligand information
Ligand IDKHF
InChIInChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)
InChIKeyLDZJFVOUPUFOHX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1CCS(=O)(=O)N2CCC3(CC2)C(=O)NC(=N3)c4ccc(cc4)OC(F)(F)F)C)N5C(=O)NC(=O)C5(C)C
CACTVS 3.385Cc1cc(cc(C)c1CC[S](=O)(=O)N2CCC3(CC2)N=C(NC3=O)c4ccc(OC(F)(F)F)cc4)N5C(=O)NC(=O)C5(C)C
FormulaC29 H32 F3 N5 O6 S
NamePCO-371;
1-[3,5-dimethyl-4-[2-[[4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-imidazolidine-2,4-dione
ChEMBLCHEMBL3976807
DrugBankDB14946
ZINC
PDB chain8gw8 Chain R Residue 601 [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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PDB8gw8 Class B1 GPCR activation by an intracellular agonist.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y381 E382
Binding residue
(residue number reindexed from 1)		Y227 E228
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0003925 G protein activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0010856 adenylate cyclase activator activity
GO:0016787 hydrolase activity
GO:0019001 guanyl nucleotide binding
GO:0031683 G-protein beta/gamma-subunit complex binding
GO:0031748 D1 dopamine receptor binding
GO:0046872 metal ion binding
Biological Process
GO:0002862 negative regulation of inflammatory response to antigenic stimulus
GO:0003091 renal water homeostasis
GO:0007165 signal transduction
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:0007191 adenylate cyclase-activating dopamine receptor signaling pathway
GO:0007608 sensory perception of smell
GO:0046907 intracellular transport
GO:0048589 developmental growth
GO:0050796 regulation of insulin secretion
GO:0050890 cognition
GO:0060348 bone development
GO:0060789 hair follicle placode formation
GO:0070527 platelet aggregation
GO:0071377 cellular response to glucagon stimulus
GO:0071380 cellular response to prostaglandin E stimulus
GO:0071870 cellular response to catecholamine stimulus
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005834 heterotrimeric G-protein complex
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032588 trans-Golgi network membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gw8, PDBe:8gw8, PDBj:8gw8
PDBsum8gw8
PubMed37286611
UniProtP63092|GNAS2_HUMAN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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