Structure of PDB 3c15 Chain C Binding Site BS01

Receptor Information
>3c15 Chain C (length=334) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYRATHRLLLLGAGESGKSTIVKQMRILHVNGEKATKVQDIKNNLKEAIE
TIVAAMSNLVPPVELANPENQFRVDYILSVMNVPDFDFPPEFYEHAKALW
EDEGVRACYERSNEYQLIDCAQYFLDKIDVIKQDDYVPSDQDLLRCRVLT
SGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVASSSYN
MVIREDNQTNRLQEALNLFKSIWNNRWLRTISVILFLNKQDLLAEKVLAG
KSKIEDYFPEFARYTTPEDATPEPGEDPRVTRAKYFIRDEFLRISTASGD
GRHYCYPHFTCAVDTENIRRVFNDCRDIIQRMHL
Ligand information
Ligand IDGSP
InChIInChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXOFLBQFBSOEHOG-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(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)O[P](O)(O)=S)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
ACDLabs 10.04S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O13 P3 S
Name5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
ChEMBLCHEMBL1204628
DrugBankDB01864
ZINCZINC000008217391
PDB chain3c15 Chain C Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c15 Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		E50 S51 G52 K53 S54 T55 D173 R199 R201 T204 N292 K293 D295 L296 C365 A366 V367
Binding residue
(residue number reindexed from 1)		E15 S16 G17 K18 S19 T20 D119 R145 R147 T150 N238 K239 D241 L242 C311 A312 V313
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E50 T55 R201 D223 Q227
Catalytic site (residue number reindexed from 1) E15 T20 R147 D169 Q173
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005159 insulin-like growth factor receptor 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:0031698 beta-2 adrenergic receptor binding
GO:0031748 D1 dopamine receptor binding
GO:0031852 mu-type opioid receptor binding
GO:0035255 ionotropic glutamate receptor binding
GO:0046872 metal ion binding
GO:0051430 corticotropin-releasing hormone receptor 1 binding
Biological Process
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007191 adenylate cyclase-activating dopamine receptor signaling pathway
GO:0007606 sensory perception of chemical stimulus
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005834 heterotrimeric G-protein complex
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3c15, PDBe:3c15, PDBj:3c15
PDBsum3c15
PubMed19243146
UniProtP04896|GNAS2_BOVIN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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