Structure of PDB 6riq Chain J Binding Site BS01

Receptor Information
>6riq Chain J (length=254) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKILVVTSGKGGVGKTTTSAAIGTGLALRGFKTVIVDFDVGLRNLDLIMG
CERRVVYDFVNVVNGEATLTQALIKDKRLENLHVLAASQTRDKDALTKEG
VEKVMAELRKDFEYIICDSPAGIEKGAHLAMYFADEAIVVTNPEVSSVRD
SDRMLGLLASKSQRAEKGEEPIKEHLLLTRYNPERVTKGEMLSVDDVEEI
LAIRLLGVIPESQAVLKASNQGVPVILDEQSDAGQAYSDAVDRLLGKEIP
HRFL
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 chain6riq Chain J Residue 302 [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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PDB6riq Cryo-EM structure of the MinCD copolymeric filament from Pseudomonas aeruginosa at 3.1 angstrom resolution.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G13 G15 K16 T17 T18 T180 R181 P211 E212 S213 V216
Binding residue
(residue number reindexed from 1)		G12 G14 K15 T16 T17 T179 R180 P210 E211 S212 V215
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0051782 negative regulation of cell division
Cellular Component
GO:0005829 cytosol
GO:0009898 cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6riq, PDBe:6riq, PDBj:6riq
PDBsum6riq
PubMed31166018
UniProtQ9HYZ6

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