BioLiP

Receptor Information

>4n0d Chain A (length=320) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

REVKLLLLGAGESGKSTIVKQMKIIHEAGYSEEECKQYKAVVYSNTIQSI
IAIIRAMGRLKIDFGDAARADDARQLFVLAGAAEEGFMTAELAGVIKRLW
KDSGVQACFNRSREYQLNDSAAYYLNDLDRIAQPNYIPTQQDVLRTRVKT
TGIVETHFTFKDLHFKMFDVGGQRSERKKWIHCFEGVTAIIFCVALSDYD
LVLAEDEEMNRMHESMKLFDSICNNKWFTDTSIILFLNKKDLFEEKIKKS
PLTICYPEYAGSNTYEEAAAYIQCQFEDLNKRKDTKEIYTHFTCATDTKN
VQFVFDAVTDVIILNNLKDC

Ligand ID

GSP

InChI

InChI=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

InChIKey

XOFLBQFBSOEHOG-UUOKFMHZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=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 1.5.0	c1nc2c(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 3.341	NC1=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 10.04	S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O

Formula

C10 H16 N5 O13 P3 S

Name

5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE

PDB chain

4n0d Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4n0d A Transient Interaction between the Phosphate Binding Loop and Switch I Contributes to the Allosteric Network between Receptor and Nucleotide in G alpha i1.
Resolution	1.55 Å
Binding residue (original residue number in PDB)	E43 S44 G45 K46 S47 T48 R176 T177 R178 K180 T181 G202 G203 N269 K270 D272 L273 C325 A326 T327
Binding residue (residue number reindexed from 1)	E12 S13 G14 K15 S16 T17 R145 T146 R147 K149 T150 G171 G172 N238 K239 D241 L242 C294 A295 T296
Annotation score	3

Catalytic site (original residue number in PDB)	E43 T48 R178 D200 Q204
Catalytic site (residue number reindexed from 1)	E12 T17 R147 D169 Q173
Enzyme Commision number	3.6.5.1: heterotrimeric G-protein GTPase.

	Molecular Function
GO:0000287	magnesium ion binding
GO:0001664	G protein-coupled receptor binding
GO:0003924	GTPase activity
GO:0005515	protein binding
GO:0005525	GTP binding
GO:0016787	hydrolase activity
GO:0019001	guanyl nucleotide binding
GO:0019003	GDP binding
GO:0031683	G-protein beta/gamma-subunit complex binding
GO:0031749	D2 dopamine receptor binding
GO:0031821	G protein-coupled serotonin receptor binding
GO:0032794	GTPase activating protein binding
GO:0046872	metal ion binding

	Biological Process
GO:0007165	signal transduction
GO:0007186	G protein-coupled receptor signaling pathway
GO:0007188	adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0043949	regulation of cAMP-mediated signaling
GO:0050805	negative regulation of synaptic transmission
GO:0051301	cell division
GO:0060236	regulation of mitotic spindle organization
GO:0099645	neurotransmitter receptor localization to postsynaptic specialization membrane
GO:1904322	cellular response to forskolin
GO:1904778	positive regulation of protein localization to cell cortex

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005813	centrosome
GO:0005834	heterotrimeric G-protein complex
GO:0005856	cytoskeleton
GO:0005886	plasma membrane
GO:0005938	cell cortex
GO:0030496	midbody
GO:0032991	protein-containing complex
GO:0098794	postsynapse
GO:0098978	glutamatergic synapse

PDB	RCSB:4n0d, PDBe:4n0d, PDBj:4n0d
PDBsum	4n0d
PubMed	24596087
UniProt	P10824\|GNAI1_RAT Guanine nucleotide-binding protein G(i) subunit alpha-1 (Gene Name=Gnai1)

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Structure of PDB 4n0d Chain A Binding Site BS02