Structure of PDB 7bph Chain A Binding Site BS02

Receptor Information
>7bph Chain A (length=360) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAQREANKKIEKQLQKDKQVYRATHRLLLLGAGESGKSTIVKQMRILHVN
GFNKATKVQDIKNNLKEAIETIVAAMSNLVPPVELANPENQFRVDYILSV
MNVPDFDFPPEFYEHAKALWEDEGVRACYERSNEYQLIDCAQYFLDKIDV
IKQADYVPSDQDLLRCRVLTSGIFETKFQVDKVNFHMFDVGGQRDERRKW
IQCFNDVTAIIFVVASSSYNMVIREDNQTNRLQEALNLFKSIWNNRWLRT
ISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEPGEDPRV
TRAKYFIRDEFLRISTASGDGRHYCYPHFTCAVDTENIRRVFNDCRDIIQ
RMHLRQYELL
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain7bph 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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PDB7bph State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		E50 S51 G52 K53 S54 T55 D173 R199 T204 G226 N292 K293 D295 L296 C365 A366 V367
Binding residue
(residue number reindexed from 1)		E34 S35 G36 K37 S38 T39 D139 R165 T170 G192 N258 K259 D261 L262 C331 A332 V333
Annotation score3
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:7bph, PDBe:7bph, PDBj:7bph
PDBsum7bph
PubMed36170854
UniProtP63092|GNAS2_HUMAN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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