Structure of PDB 8unz Chain A Binding Site BS01

Receptor Information
>8unz Chain A (length=224) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQRNEEKAQREANKKIEKQLQKDKQVYRATHRLLLLGAGESGKSTIVGIF
ETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVASSSYNMRLQ
EALNLFKSIWNNRWLRTISVILFLNKQDLLAEKVLASKIEDYFPEFARYT
TPEDATPEPEDPRVTRAKYFIRDEFLRISTASGDGRHYCYPHFTCAVDTE
NIRRVFNDCRDIIQRMHLRQYELL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain8unz Chain A Residue 401 [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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PDB8unz Time-resolved cryo-EM of G protein activation by a GPCR
Resolution3.8 Å
Binding residue
(original residue number in PDB)		E50 G52 K53 S54 T55 K293 A366
Binding residue
(residue number reindexed from 1)		E40 G42 K43 S44 T45 K126 A196
Annotation score4
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:8unz, PDBe:8unz, PDBj:8unz
PDBsum8unz
PubMed38480881
UniProtP63092|GNAS2_HUMAN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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