6AQQ

Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor

6AQQ の概要

• エントリーDOI: 10.2210/pdb6aqq/pdb
• 分子名称: Bifunctional ligase/repressor BirA, (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one (3 entities in total)
• 機能のキーワード: antibiotic, inhibitor, ligase
• 由来する生物種: Staphylococcus aureus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38404.33

構造登録者

Cini, D.A.,Wilce, M.C.J. (登録日: 2017-08-21, 公開日: 2018-02-07, 最終更新日: 2024-03-13)

主引用文献

Paparella, A.S.,Lee, K.J.,Hayes, A.J.,Feng, J.,Feng, Z.,Cini, D.,Deshmukh, S.,Booker, G.W.,Wilce, M.C.J.,Polyak, S.W.,Abell, A.D.
Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4:175-184, 2018

PubMed Abstract: We report the synthesis and evaluation of 5-halogenated-1,2,3-triazoles as inhibitors of biotin protein ligase from Staphylococcus aureus. The halogenated compounds exhibit significantly improved antibacterial activity over their nonhalogenated counterparts. Importantly, the 5-fluoro-1,2,3-triazole compound 4c displays antibacterial activity against S. aureus ATCC49775 with a minimum inhibitory concentration (MIC) of 8 μg/mL.

PubMed: 29131575
DOI: 10.1021/acsinfecdis.7b00134

実験手法

X-RAY DIFFRACTION (2.71 Å)