Structure of PDB 3q9l Chain B Binding Site BS01

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 A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		K11 G12 E146
Binding residue
(residue number reindexed from 1)		K10 G11 E145
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

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Molecular Function
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Biological Process
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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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