Structure of PDB 3bwd Chain D Binding Site BS01

Receptor Information
>3bwd Chain D (length=156) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFIKCVTVGDGAVGKTCLLISYTSNTFPFSANVVLGLWDTAGEDYNRLRP
LSYRGADVFILAFSLISKASYENVSKKWIPELKHYAPGVPIVLVGTKLDL
RDDKQFFIDHAVPITTVQGEELKKLIGAPAYIECSSKSQENVKGVFDAAI
RVVLQP
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 chain3bwd Chain D Residue 200 [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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PDB3bwd Purification, crystallization and preliminary X-ray diffraction analysis of the plant Rho protein ROP5
Resolution1.53 Å
Binding residue
(original residue number in PDB)		A16 G18 K19 T20 C21 F31 K119 D121 L122 S159 K161
Binding residue
(residue number reindexed from 1)		A12 G14 K15 T16 C17 F27 K97 D99 L100 S135 K137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
Biological Process
GO:0007264 small GTPase-mediated signal transduction
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bwd, PDBe:3bwd, PDBj:3bwd
PDBsum3bwd
PubMed
UniProtQ9SBJ6|RAC6_ARATH Rac-like GTP-binding protein ARAC6 (Gene Name=ARAC6)

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