Structure of PDB 3q9l Chain B Binding Site BS02

Receptor Information
>3q9l Chain B (length=257) 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
DSDRILGILASKSRRAENGEEPIKEHLLLTRYNPGRVSRGDMLSMEDVLE
ILRIKLVGVIPEDQSVLRASNQGEPVILDINADAGKAYADTVERLLGEER
PFRFIEE
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain3q9l Chain B Residue 800 [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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PDB3q9l Determination of the structure of the MinD-ATP complex reveals the orientation of MinD on the membrane and the relative location of the binding sites for MinE and MinC.
Resolution2.343 Å
Binding residue
(original residue number in PDB)		G12 G13 G15 K16 T17 T18 R182 E213 D214 V217
Binding residue
(residue number reindexed from 1)		G11 G12 G14 K15 T16 T17 R181 E212 D213 V216
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
View graph for
Cellular Component
External links
PDB RCSB:3q9l, PDBe:3q9l, PDBj:3q9l
PDBsum3q9l
PubMed21231967
UniProtP0AEZ3|MIND_ECOLI Septum site-determining protein MinD (Gene Name=minD)

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