Structure of PDB 4rz3 Chain B Binding Site BS02

Receptor Information
>4rz3 Chain B (length=244) Species: 420246 (Geobacillus thermodenitrificans NG80-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPRTIAVTSGKGGVGKSNVSLNFSLSLSKLGFRVLLLDMAIGMGNIDILL
GESSSLALADWFSARLPLSELVKSGPEHLSYIAGGTGAAQWQGLDTASID
RFLTELQAVASQYDYLIFDMGAGASGERLYFLKSVDDVFVVTTPEPTAMT
DAYAMMKYMHAAGSEAPFSVIVNRAGKEREGYEVFERLKHVTGRFLNKDI
ALLGIIPEDRTVARAVVSQTPFVLLDPAAKASKAVRQMAFRYAP
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 chain4rz3 Chain B Residue 301 [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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PDB4rz3 MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G33 V34 G35 K36 S37 N38 N193 R194 E228 D229 V232
Binding residue
(residue number reindexed from 1)		G13 V14 G15 K16 S17 N18 N173 R174 E208 D209 V212
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:4rz3, PDBe:4rz3, PDBj:4rz3
PDBsum4rz3
PubMed25733861
UniProtA4IMB4

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