Structure of PDB 4rz3 Chain B Binding Site BS01

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 A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		K31 E165
Binding residue
(residue number reindexed from 1)		K11 E145
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4rz3, PDBe:4rz3, PDBj:4rz3
PDBsum4rz3
PubMed25733861
UniProtA4IMB4

[Back to BioLiP]