Structure of PDB 2xtz Chain B Binding Site BS02

Receptor Information
>2xtz Chain B (length=291) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRKLLLLGAGESGKSTIFKQIKLLFQTGFDEGELKSYVPVIHANVYQTIK
LLHDGTKEFPRLTKDIAEGIETLWKDPAIQETPDCTKYLMENLKRLSDIN
YIPTKEDVLYARVRTTGVVEIQFSPEVYRLFDVGGQRNERRKWIHLFEGV
TAVIFCAAISEYDQTLFEDEQKNRMMETKELFDWVLKQPCFEKTSFMLFL
NKFDIFEKKVLDVPLNVCEWFRDYQPVSSGKQEIEHAYEFVKKKFEELYY
QNTAPDRVDRVFKIYRTTALDQKLVKKTFKLVDETLRRRNL
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 chain2xtz Chain B Residue 1379 [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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PDB2xtz The Crystal Structure of a Self-Activating G Protein Alpha Subunit Reveals its Distinct Mechanism of Signal Initiation
Resolution2.34 Å
Binding residue
(original residue number in PDB)		G47 E48 S49 G50 K51 S52 T53 D162 L187 Y188 R192 T193 G221 N287 K288 D290 I291 T354 A355 L356
Binding residue
(residue number reindexed from 1)		G10 E11 S12 G13 K14 S15 T16 D84 L109 Y110 R114 T115 G135 N201 K202 D204 I205 T268 A269 L270
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E48 T53 R190 D218 Q222
Catalytic site (residue number reindexed from 1) E11 T16 R112 D132 Q136
Enzyme Commision number 3.6.5.1: heterotrimeric G-protein GTPase.
Gene Ontology
Molecular Function
GO:0001664 G protein-coupled receptor binding
GO:0003924 GTPase activity
GO:0005095 GTPase inhibitor activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016247 channel regulator activity
GO:0019001 guanyl nucleotide binding
GO:0031683 G-protein beta/gamma-subunit complex binding
GO:0046872 metal ion binding
GO:0051020 GTPase binding
Biological Process
GO:0003376 sphingosine-1-phosphate receptor signaling pathway
GO:0006571 tyrosine biosynthetic 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:0008219 cell death
GO:0009094 L-phenylalanine biosynthetic process
GO:0009738 abscisic acid-activated signaling pathway
GO:0009740 gibberellic acid mediated signaling pathway
GO:0009749 response to glucose
GO:0009785 blue light signaling pathway
GO:0009789 positive regulation of abscisic acid-activated signaling pathway
GO:0009845 seed germination
GO:0010027 thylakoid membrane organization
GO:0010119 regulation of stomatal movement
GO:0010244 response to low fluence blue light stimulus by blue low-fluence system
GO:0019236 response to pheromone
GO:0042127 regulation of cell population proliferation
GO:0072593 reactive oxygen species metabolic process
GO:0090333 regulation of stomatal closure
Cellular Component
GO:0005777 peroxisome
GO:0005789 endoplasmic reticulum membrane
GO:0005834 heterotrimeric G-protein complex
GO:0005886 plasma membrane
GO:0009506 plasmodesma

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2xtz, PDBe:2xtz, PDBj:2xtz
PDBsum2xtz
PubMed21304159
UniProtP18064|GPA1_ARATH Guanine nucleotide-binding protein alpha-1 subunit (Gene Name=GPA1)

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