Structure of PDB 7rky Chain A Binding Site BS01

Receptor Information

>7rky Chain A (length=341) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GCTLSAEDKAAVERSKMIDRNLREDGEKAAREVKLLLLGAGESGKSTIVK
QMKIIHEAGYSEEECKQYKAVVYSNTIQSIIAIIRAMGRLKIDFGDSARA
DDARQLFVLAGAAEEGFMTAELAGVIKRLWKDSGVQACFNRSREYQLNDS
AAYYLNDLDRIAQPNYIPTQQDVLRTRVKTTGIVETHFTFKDLHFKMFDV
GGQRSERKKWIHCFEGVTAIIFCVALSDYDLVNRMHESMKLFDSICNNKW
FTDTSIILFLNKKDLFEEKIKKSPLTICYPEYAGSNTYEEAAAYIQCQFE
DLNKRKDTKEIYTHFTCATDTKNVQFVFDAVTDVIIKNNLK

Ligand information

Ligand ID

GDP

InChI

InChI=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

InChIKey

QGWNDRXFNXRZMB-UUOKFMHZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385	NC1=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 3.385	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6	c1nc2c(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

Formula

C10 H15 N5 O11 P2

Name

GUANOSINE-5'-DIPHOSPHATE

PDB chain

7rky Chain A Residue 401 [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	7rky Atypical structural snapshots of human cytomegalovirus GPCR interactions with host G proteins
Resolution	3.8 Å
Binding residue (original residue number in PDB)	G42 E43 G45 K46 S47 S151 C325 T327
Binding residue (residue number reindexed from 1)	G41 E42 G44 K45 S46 S150 C317 T319
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
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:0010854	adenylate cyclase regulator activity
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: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:0007193	adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0007198	adenylate cyclase-inhibiting serotonin receptor signaling pathway
GO:0034695	response to prostaglandin E
GO:0043434	response to peptide hormone
GO:0043949	regulation of cAMP-mediated signaling
GO:0045542	positive regulation of cholesterol biosynthetic process
GO:0051301	cell division
GO:0060236	regulation of mitotic spindle organization
GO:0072678	T cell migration
GO:1904322	cellular response to forskolin
GO:1904778	positive regulation of protein localization to cell cortex

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005730	nucleolus
GO:0005737	cytoplasm
GO:0005765	lysosomal membrane
GO:0005813	centrosome
GO:0005829	cytosol
GO:0005834	heterotrimeric G-protein complex
GO:0005856	cytoskeleton
GO:0005886	plasma membrane
GO:0005938	cell cortex
GO:0030496	midbody
GO:0070062	extracellular exosome

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:7rky, PDBe:7rky, PDBj:7rky
PDBsum	7rky
PubMed
UniProt	P63096\|GNAI1_HUMAN Guanine nucleotide-binding protein G(i) subunit alpha-1 (Gene Name=GNAI1)

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