6CHP

Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate

6CHP の概要

• エントリーDOI: 10.2210/pdb6chp/pdb
• 分子名称: Phosphopantetheine adenylyltransferase, methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: dephospho-coa pyrophosphorylase pantetheine-phosphate adenylyltransferase ppat caad, fbdd gram-negati pantetheine-phosphate adenylyltransferaseve 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: 38075.72

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 (1.94 Å)