4QGG

TMK in complex with compound 46, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC ACID

4QGG の概要

• エントリーDOI: 10.2210/pdb4qgg/pdb
• 関連するPDBエントリー: 4QG7 4QGA 4QGG 4QGH
• 分子名称: Thymidylate kinase, 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (3 entities in total)
• 機能のキーワード: thymidine monphosphate, soluble, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Staphylococcus aureus subsp. aureus
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 47997.20

構造登録者

Olivier, N.B. (登録日: 2014-05-22, 公開日: 2014-06-11, 最終更新日: 2024-02-28)

• 主引用文献: Kawatkar, S.P.,Keating, T.A.,Olivier, N.B.,Breen, J.N.,Green, O.M.,Guler, S.Y.,Hentemann, M.F.,Loch, J.T.,McKenzie, A.R.,Newman, J.V.,Otterson, L.G.,Martinez-Botella, G.; Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.; J.Med.Chem., 57:4584-4597, 2014; PubMed: 24828090; DOI: 10.1021/jm500463c

実験手法

X-RAY DIFFRACTION (1.62 Å)