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TitleBiochemical and structural characterization of chlorhexidine as an ATP-assisted inhibitor against type 1 methionyl-tRNA synthetase from Gram-positive bacteria.
Journal, issue, pagesEur. J. Med. Chem., Vol. 268, Page 116303-116303, Year 2024
Publish dateDec 27, 2023 (structure data deposition date)
AuthorsLu, F. / Xia, K. / Su, J. / Yi, J. / Luo, Z. / Xu, J. / Gu, Q. / Chen, B. / Zhou, H.
External linksEur. J. Med. Chem. / PubMed:38458107
MethodsX-ray diffraction
Resolution1.67 - 1.92 Å
Structure data

PDB-8xm3:
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a chlorhexidine derivative and ATP
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-8xm4:
Methionyl-tRNA synthetase from Staphylococcus aureus in complex with chlorhexidine and ATP
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

Chemicals

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

PDB-1lv5:
Crystal Structure of the Closed Conformation of Bacillus DNA Polymerase I Fragment Bound to DNA and dCTP

ChemComp-HOH:
WATER

ChemComp-XC9:
1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • staphylococcus aureus subsp. aureus col (bacteria)
KeywordsLIGASE / MetRS / methionyl-tRNA synthetase

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