Structure of PDB 1shz Chain A Binding Site BS03

Receptor Information
>1shz Chain A (length=326) Species: 10090,10116 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AREVKLLLLGAGESGKSTFLKQMRIIHGQDFDQRAREEFRPTIYSNVIKG
MRVLVDAREKLHIPWGDNKNQLHGDKLMAFDTRAPMAAQGMVETRVFLQY
LPAIRALWEDSGIQNAYDRRREFQLGESVKYFLDNLDKLGVPDYIPSQQD
ILLARRPTKGIHETHFTFKDLHFKMFDVGGQRSERKKWFECFEGVTAIIF
CVALSDYDQVLMEDRQTNRMHESMKLFDSICNNKWFTDTSIILFLNKKDL
FEEKIKKSPLTICYPEYAGSNTYEEAAAYIQCQFEDLNKRKDTKEIYTHF
TCATDTKNVQFVFDAVTDVIIKNNLK
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 chain1shz Chain A Residue 475 [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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PDB1shz Structure of the p115RhoGEF rgRGS domain-Galpha13/i1 chimera complex suggests convergent evolution of a GTPase activator.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		E58 S59 G60 K61 S62 T63 L197 L198 R200 N291 K292 D294 L295 T349
Binding residue
(residue number reindexed from 1)		E13 S14 G15 K16 S17 T18 L152 L153 R155 N246 K247 D249 L250 T304
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E58 T63 R200 D222 Q226
Catalytic site (residue number reindexed from 1) E13 T18 R155 D177 Q181
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1shz, PDBe:1shz, PDBj:1shz
PDBsum1shz
PubMed15665872
UniProtP10824|GNAI1_RAT Guanine nucleotide-binding protein G(i) subunit alpha-1 (Gene Name=Gnai1);
P27601|GNA13_MOUSE Guanine nucleotide-binding protein subunit alpha-13 (Gene Name=Gna13)

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