6CCK

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile

6CCK の概要

• エントリーDOI: 10.2210/pdb6cck/pdb
• 分子名称: Phosphopantetheine adenylyltransferase, (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, ... (6 entities in total)
• 機能のキーワード: ppat coad fbdd phosphopantetheine adenylyltransferase gram-negative antibacterial antibiotic, transferase, 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: 38060.30

構造登録者

Mamo, M.,Appleton, B.A. (登録日: 2018-02-07, 公開日: 2018-03-14, 最終更新日: 2024-03-13)

• 主引用文献: Moreau, R.J.,Skepper, C.K.,Appleton, B.A.,Blechschmidt, A.,Balibar, C.J.,Benton, B.M.,Drumm, J.E.,Feng, B.Y.,Geng, M.,Li, C.,Lindvall, M.K.,Lingel, A.,Lu, Y.,Mamo, M.,Mergo, W.,Polyakov, V.,Smith, T.M.,Takeoka, K.,Uehara, K.,Wang, L.,Wei, J.R.,Weiss, A.H.,Xie, L.,Xu, W.,Zhang, Q.,de Vicente, J.; Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.; J. Med. Chem., 61:3309-3324, 2018; PubMed: 29498517; DOI: 10.1021/acs.jmedchem.7b01691

実験手法

X-RAY DIFFRACTION (1.61 Å)