Structure of PDB 4gnk Chain A Binding Site BS01

Receptor Information
>4gnk Chain A (length=337) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARRINDEIERQLRRDKRDARRELKLLLLGTGESGKSTFIKQMRIIHGSGY
SDEDKRGFTKLVYQNIFTAMQAMIRAMDTLKIPYKYEHNKAHAQLVREVD
VEKVSAFENPYVDAIKSLWNDPGIQECYDRRREYQLSDSTKYYLNDLDRV
ADPSYLPTQQDVLRVRVPTTGIIEYPFDLQSVIFRMVDVGGQRSERRKWI
HCFENVTSIMFLVALSEYDQVLVESDNENRMEESKALFRTIITYPWFQNS
SVILFLNKKDLLEEKIMYSHLVDYFPEYDGPQRDAQAAREFILKMFVDLN
PDSDKIIYSHFTCATDTENIRFVFAAVKDTILQLNLK
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 chain4gnk 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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PDB4gnk Full-length G alpha (q)-phospholipase C-beta 3 structure reveals interfaces of the C-terminal coiled-coil domain.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		E49 G51 K52 S53 T54 S156 R181 R183 K275 D277 L278 C330 A331 T332
Binding residue
(residue number reindexed from 1)		E32 G34 K35 S36 T37 S139 R164 R166 K258 D260 L261 C313 A314 T315
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E49 T54 R183 D205 Q209
Catalytic site (residue number reindexed from 1) E32 T37 R166 D188 Q192
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001664 G protein-coupled receptor binding
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:0030234 enzyme regulator activity
GO:0031683 G-protein beta/gamma-subunit complex binding
GO:0046872 metal ion binding
GO:0047391 alkylglycerophosphoethanolamine phosphodiesterase activity
Biological Process
GO:0001501 skeletal system development
GO:0001508 action potential
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0007207 phospholipase C-activating G protein-coupled acetylcholine receptor signaling pathway
GO:0007215 glutamate receptor signaling pathway
GO:0007507 heart development
GO:0008217 regulation of blood pressure
GO:0009791 post-embryonic development
GO:0010543 regulation of platelet activation
GO:0016322 neuron remodeling
GO:0021884 forebrain neuron development
GO:0032024 positive regulation of insulin secretion
GO:0042711 maternal behavior
GO:0042733 embryonic digit morphogenesis
GO:0045634 regulation of melanocyte differentiation
GO:0048066 developmental pigmentation
GO:0060158 phospholipase C-activating dopamine receptor signaling pathway
GO:0086100 endothelin receptor signaling pathway
GO:0099105 ion channel modulating, G protein-coupled receptor signaling pathway
GO:1904888 cranial skeletal system development
GO:1990806 ligand-gated ion channel signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005794 Golgi apparatus
GO:0005834 heterotrimeric G-protein complex
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0031965 nuclear membrane
GO:0044297 cell body
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4gnk, PDBe:4gnk, PDBj:4gnk
PDBsum4gnk
PubMed23377541
UniProtP21279|GNAQ_MOUSE Guanine nucleotide-binding protein G(q) subunit alpha (Gene Name=Gnaq)

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