Structure of PDB 1fqj Chain A Binding Site BS03

Receptor Information

>1fqj Chain A (length=317) Species: 9913,10116 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RTVKLLLLGAGESGKSTIVKQMKIIHQDGYSLEECLEFIAIIYGNTLQSI
LAIVRAMTTLNIQYGDSARQDDARKLMHMADTIEEGTMPKEMSDIIQRLW
KDSGIQACFDRASEYQLNDSAGYYLSDLERLVTPGYVPTEQDVLRSRVKT
TGIIETQFSFKDLNFRMFDVGGQRSERKKWIHCFEGVTAIIFCVALSDYD
LVLAEDEEMNRMHESMKLFDSICNNKWFTDTSIILFLNKKDLFEEKIKKS
PLTICYPEYAGSNTYEEAGNYIKVQFLELNMRRDVKEIYSHMTCATDTQN
VKFVFDAVTDIIIKENL

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

1fqj Chain A Residue 360 [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	1fqj Structural determinants for regulation of phosphodiesterase by a G protein at 2.0 A.
Resolution	2.02 Å
Binding residue (original residue number in PDB)	E39 S40 G41 K42 S43 T44 D146 L171 R172 S173 R174 N265 K266 D268 L269 C321 A322 T323
Binding residue (residue number reindexed from 1)	E12 S13 G14 K15 S16 T17 D119 L144 R145 S146 R147 N238 K239 D241 L242 C294 A295 T296
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	E39 T44 R174 D196 Q200
Catalytic site (residue number reindexed from 1)	E12 T17 R147 D169 Q173
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0003924	GTPase activity
GO:0005525	GTP binding
GO:0019001	guanyl nucleotide binding
GO:0031683	G-protein beta/gamma-subunit complex 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

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Molecular Function

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Biological Process

External links

PDB	RCSB:1fqj, PDBe:1fqj, PDBj:1fqj
PDBsum	1fqj
PubMed	11234020
UniProt	P04695\|GNAT1_BOVIN Guanine nucleotide-binding protein G(t) subunit alpha-1 (Gene Name=GNAT1); P10824\|GNAI1_RAT Guanine nucleotide-binding protein G(i) subunit alpha-1 (Gene Name=Gnai1)

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