Structure of PDB 3r9j Chain B Binding Site BS01

Receptor Information
>3r9j Chain B (length=250) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARIIVVTSGKGGVGKTTSSAAIATGLAQKGKKTVVIDFAIGLRNLDLIMG
CERRVVYDFVNVIQGDATLNQALIKDKRTENLYILPASQTRDKDALTREG
VAKVLDDLKAMDFEFIVCDSPAGIETGALMALYFADEAIITTNPEVSSVR
DSDRILGILASKSEPIKEHLLLTRYNPGRVSRGDMLSMEDVLEILRIKLV
GVIPEDQSVLRASNQGEPVILDINADAGKAYADTVERLLGEERPFRFIEE
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3r9j Chain B Residue 261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r9j The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		G13 G15 K16 T17 T18 R182 E213 D214 V217
Binding residue
(residue number reindexed from 1)		G12 G14 K15 T16 T17 R174 E205 D206 V209
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0000917 division septum assembly
GO:0000918 division septum site selection
GO:0007059 chromosome segregation
GO:0008298 intracellular mRNA localization
GO:0051301 cell division
GO:0051782 negative regulation of cell division
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0060187 cell pole

View graph for
Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3r9j, PDBe:3r9j, PDBj:3r9j
PDBsum3r9j
PubMed21816275
UniProtP0AEZ3|MIND_ECOLI Septum site-determining protein MinD (Gene Name=minD)

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