6B7E

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one

Summary for 6B7E

Entry DOI	10.2210/pdb6b7e/pdb
Descriptor	Phosphopantetheine adenylyltransferase, SULFATE ION, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	coad, transferase
Biological source	Escherichia coli (strain K12)
Cellular location	Cytoplasm : P0A6I6
Total number of polymer chains	2
Total formula weight	38926.44
Authors	Proudfoot, A.W.,Bussiere, D.,Lingel, A. (deposition date: 2017-10-03, release date: 2017-12-27, Last modification date: 2023-10-04)
Primary citation	Proudfoot, A.,Bussiere, D.E.,Lingel, A. High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139:17824-17833, 2017 Cited by PubMed: 29190085 DOI: 10.1021/jacs.7b07171 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.104 Å)

Structure validation