Structure of PDB 1zca Chain A Binding Site BS03

Receptor Information
>1zca Chain A (length=318) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLVKILLLGAGESGKSTFLKQMRIIHGREFDQKALLEFRDTIFDNILKGS
RVLVDARDKLGIPWQHSENEKHGMFLMAFENKAGLPVEPATFQLYVPALS
ALWRDSGIREAFSRRSEFQLGESVKYFLDNLDRIGQLNYFPSKQDILLAR
KATKGIVEHDFVIKKIPFKMVDVGGQRSQRQKWFQCFDGITSILFMVSSS
EYDQVLMEDRRTNRLVESMNIFETIVNNKLFFNVSIILFLNKMDLLVEKV
KSVSIKKHFPDFKGDPHRLEDVQRYLVQCFDRKRRNRSKPLFHHFTTAID
TENIRFVFHAVKDTILQE
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 chain1zca Chain A Residue 382 [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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PDB1zca A new approach to producing functional G alpha subunits yields the activated and deactivated structures of G alpha(12/13) proteins.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E65 S66 G67 K68 S69 T70 L201 R203 N294 K295 D297 L298 T350 A351 I352
Binding residue
(residue number reindexed from 1)		E12 S13 G14 K15 S16 T17 L148 R150 N241 K242 D244 L245 T297 A298 I299
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E65 T70 R203 D225 Q229
Catalytic site (residue number reindexed from 1) E12 T17 R150 D172 Q176
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:1zca, PDBe:1zca, PDBj:1zca
PDBsum1zca
PubMed16388592
UniProtP27600|GNA12_MOUSE Guanine nucleotide-binding protein subunit alpha-12 (Gene Name=Gna12)

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