Structure of PDB 4v02 Chain B Binding Site BS01

Receptor Information
>4v02 Chain B (length=242) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEVIVITSGKGGVGKTTLTANIGTALAKLGKKVLLIDAAIGLRNLDMILG
LENRIVYDILDVLEGRVPYEKALVKDKRGLSLWLLPAVIDIEKWNKTVEE
IKNSGNYDYILVDSPAGIEKGFQIAVSPADKALIVVNPEVSSIRDADRVI
GLLESMDKRNYKVIVNRIKWEMVKRGAMLSVEDIVDILKAEIIGIIPEEP
KLVDFTNRGEPIVLDEKFPASQAIIDTARRLMGESIPLKRYG
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 chain4v02 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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PDB4v02 Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G13 G15 K16 T17 T18 G42 N174 R175 E206 E207 L210
Binding residue
(residue number reindexed from 1)		G12 G14 K15 T16 T17 G41 N166 R167 E198 E199 L202
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
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:4v02, PDBe:4v02, PDBj:4v02
PDBsum4v02
PubMed25500731
UniProtO67033

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