Structure of PDB 3c7k Chain A Binding Site BS03

Receptor Information
>3c7k Chain A (length=305) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLLLLGAGESGKSTIVKQMKIIFSGEDVKQYKPVVYSNTIQSLAAIVRAM
DTLGVEYGDKERKTDSKMVCDVVSRMEDTEPFSAELLSAMMRLWGDSGIQ
ECFNRSREYQLNDSAKYYLDSLDRIGAGDYQPTEQDILRTRVKTTGIVET
HFTFKNRLFDVGGQRSERKKWIHCFEDVTAIIFCVALSGYDQVLHEDETT
NRMHESLMLFDSICNNKFFIDTSIILFLNKKDLFGEKIKKSPLTICFPEY
PGSNTYEDAAAYIQTQFESKNRSPNKEIYCHMTCATDTNNIQVVFDAVTD
IIIAN
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain3c7k Chain A Residue 361 [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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PDB3c7k Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E43 G45 K46 S47 T48 D151 L176 R177 T178 R179 N270 K271 D273 L274 C325 A326 T327
Binding residue
(residue number reindexed from 1)		E9 G11 K12 S13 T14 D113 L138 R139 T140 R141 N229 K230 D232 L233 C284 A285 T286
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E43 T48 R179 D201 Q205
Catalytic site (residue number reindexed from 1) E9 T14 R141 D160 Q164
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:0016787 hydrolase activity
GO:0019001 guanyl nucleotide binding
GO:0031683 G-protein beta/gamma-subunit complex binding
GO:0046872 metal ion binding
Biological Process
GO:0006904 vesicle docking involved in exocytosis
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007198 adenylate cyclase-inhibiting serotonin receptor signaling pathway
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0007626 locomotory behavior
GO:0008016 regulation of heart contraction
GO:0046676 negative regulation of insulin secretion
GO:0099170 postsynaptic modulation of chemical synaptic transmission
Cellular Component
GO:0005834 heterotrimeric G-protein complex
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0042734 presynaptic membrane
GO:0043209 myelin sheath
GO:0044297 cell body
GO:0045211 postsynaptic membrane
GO:0098688 parallel fiber to Purkinje cell synapse
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3c7k, PDBe:3c7k, PDBj:3c7k
PDBsum3c7k
PubMed18434540
UniProtP18872|GNAO_MOUSE Guanine nucleotide-binding protein G(o) subunit alpha (Gene Name=Gnao1)

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