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
Summary for 6CCK
Entry DOI | 10.2210/pdb6cck/pdb |
Descriptor | 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) |
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 | 38060.30 |
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 Cited by PubMed: 29498517DOI: 10.1021/acs.jmedchem.7b01691 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.61 Å) |
Structure validation
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