6CHQ

Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6CHQ の概要

• エントリーDOI: 10.2210/pdb6chq/pdb
• 分子名称: Phosphopantetheine adenylyltransferase, 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: ppat caad, fbdd gram-negative antibacterial antibiotic, transferase transferase-antibiotic complex, transferase-antibiotic complex, transferase/antibiotic
• 由来する生物種: Escherichia coli (strain K12)
• 細胞内の位置: Cytoplasm : P0A6I6
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 37537.58

構造登録者

Mamo, M.,Appleton, B.A. (登録日: 2018-02-22, 公開日: 2018-04-04, 最終更新日: 2024-03-13)

• 主引用文献: Skepper, C.K.,Moreau, R.J.,Appleton, B.A.,Benton, B.M.,Drumm, J.E.,Feng, B.Y.,Geng, M.,Hu, C.,Li, C.,Lingel, A.,Lu, Y.,Mamo, M.,Mergo, W.,Mostafavi, M.,Rath, C.M.,Steffek, M.,Takeoka, K.T.,Uehara, K.,Wang, L.,Wei, J.R.,Xie, L.,Xu, W.,Zhang, Q.,de Vicente, J.; Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.; J. Med. Chem., 61:3325-3349, 2018; PubMed: 29551072; DOI: 10.1021/acs.jmedchem.7b01861

実験手法

X-RAY DIFFRACTION (1.79 Å)