Structure of PDB 3cx8 Chain A Binding Site BS02

Receptor Information
>3cx8 Chain A (length=319) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLVKILLLGAGESGKSTFLKQMRIIHGQDFDQRAREEFRPTIYSNVIKGM
RVLVDAREKLHIPWGDNKNQLHGDKLMAFDTRAPMAAQGMVETRVFLQYL
PAIRALWEDSGIQNAYDRRREFQLGESVKYFLDNLDKLGVPDYIPSQQDI
LLARRPTKGIHEYDFEIKNVPFKMVDVGGQRSERKRWFECFDSVTSILFL
VSSSEFDQVLMEDRQTNRLTESLNIFETIVNNRVFSNVSIILFLNKTDLL
EEKVQVVSIKDYFLEFEGDPHCLRDVQKFLVECFRGKRRDPLYHHFTTAI
NTENIRLVFRDVKDTILHD
Ligand information
Ligand IDGSP
InChIInChI=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
InChIKeyXOFLBQFBSOEHOG-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=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 1.5.0c1nc2c(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 3.341NC1=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 10.04S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O13 P3 S
Name5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
ChEMBLCHEMBL1204628
DrugBankDB01864
ZINCZINC000008217391
PDB chain3cx8 Chain A Residue 755 [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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PDB3cx8 Recognition of the Activated States of Galpha13 by the rgRGS Domain of PDZRhoGEF.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E58 S59 G60 K61 S62 T63 S173 L197 L198 R200 T203 G225 Q226 N291 K292 D294 L295 T348 A349 I350
Binding residue
(residue number reindexed from 1)		E12 S13 G14 K15 S16 T17 S127 L151 L152 R154 T157 G179 Q180 N245 K246 D248 L249 T298 A299 I300
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E58 T63 R200 D222 Q226
Catalytic site (residue number reindexed from 1) E12 T17 R154 D176 Q180
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001664 G protein-coupled receptor binding
GO:0003924 GTPase activity
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:0007266 Rho protein signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3cx8, PDBe:3cx8, PDBj:3cx8
PDBsum3cx8
PubMed18940608
UniProtP27601|GNA13_MOUSE Guanine nucleotide-binding protein subunit alpha-13 (Gene Name=Gna13)

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