Structure of PDB 3c16 Chain C Binding Site BS02

Receptor Information
>3c16 Chain C (length=331) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATHRLLLLGAGESGKSTIVKQMRILHVNGEKATKVQDIKNNLKEAIETIV
AAMSNLVPPVELANPENQFRVDYILSVMNVPDFDFPPEFYEHAKALWEDE
GVRACYERSNEYQLIDCAQYFLDKIDVIKQDDYVPSDQDLLRCRVLTSGI
FETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVASSSYNMVI
REDNQTNRLQEALNLFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSK
IEDYFPEFARYTTPEDATPEPGEDPRVTRAKYFIRDEFLRISTASGDGRH
YCYPHFTCAVDTENIRRVFNDCRDIIQRMHL
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 chain3c16 Chain C Residue 395 [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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PDB3c16 Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		E47 S48 G49 K50 S51 T52 D151 R177 R179 L181 T182 G204 N270 K271 D273 L274 C343 A344 V345
Binding residue
(residue number reindexed from 1)		E12 S13 G14 K15 S16 T17 D116 R142 R144 L146 T147 G169 N235 K236 D238 L239 C308 A309 V310
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E47 T52 R179 D201 Q205
Catalytic site (residue number reindexed from 1) E12 T17 R144 D166 Q170
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:3c16, PDBe:3c16, PDBj:3c16
PDBsum3c16
PubMed19243146
UniProtP04896|GNAS2_BOVIN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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