6CCO

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid

Summary for 6CCO

• Entry DOI: 10.2210/pdb6cco/pdb
• Descriptor: Phosphopantetheine adenylyltransferase, 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: ppat coad fbdd phosphopantetheine adenylyltransferase gram-negative antibacterial antibiotic, transferase, transferase-antibiotic complex, transferase/antibiotic
• Biological source: Escherichia coli (strain K12)
• Cellular location: Cytoplasm : P0A6I6
• Total number of polymer chains: 2
• Total formula weight: 37046.43

Authors

Mamo, M.,Appleton, B.A. (deposition date: 2018-02-07, release date: 2018-03-14, Last modification date: 2024-03-13)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.82 Å)