Structure of PDB 6mhe Chain A Binding Site BS02

Receptor Information
>6mhe Chain A (length=330) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPRGSHMDGEKAAKEVKLLLLGAGESGKSTIVKQMKIIHEDGYSEDECK
QYKVVVYSNTIQSIIAIIRAMGRLKIDFGEAARADDARQLFVLAGSAEEG
VMTSELAGVIKRLWRDGGVQACFSRSREYQLNDSASYYLNDLDRISQTNY
IPTQQDVLRTRVKTTGIVETHFTFKELYFKMFDVGGQRSERKKWIHCFEG
VTAIIFCVALSDYDLVLAEDEEMNRMHESMKLFDSICNNKWFTDTSIILF
LNKKDLFEEKIKRSPLTICYPEYTGSNTYEEAAAYIQCQFEDLNRRKDTK
EVYTHFTCATDTKNVQFVFDAVTDVIIKNN
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 chain6mhe Chain A Residue 402 [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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PDB6mhe Structural basis for GPCR-independent activation of heterotrimeric Gi proteins.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E43 S44 G45 K46 S47 T48 S151 R176 R178 N269 K270 D272 L273 C325 A326 T327
Binding residue
(residue number reindexed from 1)		E26 S27 G28 K29 S30 T31 S134 R159 R161 N252 K253 D255 L256 C308 A309 T310
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001664 G protein-coupled receptor binding
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019001 guanyl nucleotide binding
GO:0019003 GDP binding
GO:0019904 protein domain specific binding
GO:0031683 G-protein beta/gamma-subunit complex binding
GO:0031821 G protein-coupled serotonin receptor binding
GO:0032794 GTPase activating protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006906 vesicle fusion
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007193 adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0008016 regulation of heart contraction
GO:0016239 positive regulation of macroautophagy
GO:0032930 positive regulation of superoxide anion generation
GO:0046039 GTP metabolic process
GO:0051048 negative regulation of secretion
GO:0051301 cell division
GO:1904707 positive regulation of vascular associated smooth muscle cell proliferation
GO:2001234 negative regulation of apoptotic signaling pathway
Cellular Component
GO:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005813 centrosome
GO:0005834 heterotrimeric G-protein complex
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0030496 midbody
GO:0042588 zymogen granule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6mhe, PDBe:6mhe, PDBj:6mhe
PDBsum6mhe
PubMed31363053
UniProtP08753|GNAI3_RAT Guanine nucleotide-binding protein G(i) subunit alpha-3 (Gene Name=Gnai3)

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