Structure of PDB 3aq4 Chain A Binding Site BS01

Receptor Information
>3aq4 Chain A (length=170) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFGKLFSRLFAKKEMRILMVGLDAAGKTTILYKLKLGEIVTTIPTIGFNV
ETVEYKNISFTVWDVGLWRHYFQNTQGLIFVVDSNDRDRVVEARDELHRM
LNEDELRDAVLLVFANKQDLPNAMNAAEITDKLGLHSLRQRHWYIQSTCA
TSGEGLYEGLDWLSNNIASK
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 chain3aq4 Chain A Residue 183 [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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PDB3aq4 Molecular insights into plant cell proliferation disturbance by Agrobacterium protein 6b
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A27 G29 K30 T31 T32 N126 K127 D129 L130 C159 A160 T161
Binding residue
(residue number reindexed from 1)		A24 G26 K27 T28 T29 N116 K117 D119 L120 C149 A150 T151
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016004 phospholipase activator activity
GO:0016787 hydrolase activity
Biological Process
GO:0009734 auxin-activated signaling pathway
GO:0015031 protein transport
GO:0016192 vesicle-mediated transport
GO:0031001 response to brefeldin A
GO:0090354 regulation of auxin metabolic process
GO:0098876 vesicle-mediated transport to the plasma membrane
Cellular Component
GO:0005768 endosome
GO:0005769 early endosome
GO:0005794 Golgi apparatus
GO:0005802 trans-Golgi network
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3aq4, PDBe:3aq4, PDBj:3aq4
PDBsum3aq4
PubMed21156810
UniProtP36397|ARF1_ARATH ADP-ribosylation factor 1 (Gene Name=ARF1)

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