6CHN

Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate

Summary for 6CHN

• Entry DOI: 10.2210/pdb6chn/pdb
• Descriptor: Phosphopantetheine adenylyltransferase, methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate, SULFATE ION, ... (6 entities in total)
• Functional Keywords: dephospho-coa pyrophosphorylase, pantetheine-phosphate adenylyltransferase, ppat caad, fbdd gram-negative antibacterial antibiotic, transferase transferase-antibiotic complex, transferase-antibiotic complex, transferase/antibiotic
• Biological source: Escherichia coli (strain K12)
• Cellular location: Cytoplasm : P0A6I6
• Total number of polymer chains: 2
• Total formula weight: 38025.54

Authors

Mamo, M.,Appleton, B.A. (deposition date: 2018-02-22, release date: 2018-04-04, Last modification date: 2024-03-13)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.03 Å)