4QGA

S.aureus TMK in complex with potent inhibitor compound 19, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID

Summary for 4QGA

Entry DOI	10.2210/pdb4qga/pdb
Related	4QGA 4QGF 4QGG 4QGH
Descriptor	Thymidylate kinase, 2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid (3 entities in total)
Functional Keywords	transferase/transferase inhibitor kinase, thymidine monphosphate, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Staphylococcus aureus subsp. aureus
Total number of polymer chains	2
Total formula weight	47884.99
Authors	Olivier, N.B. (deposition date: 2014-05-22, release date: 2014-06-11, Last modification date: 2024-02-28)
Primary citation	Kawatkar, S.P.,Keating, T.A.,Olivier, N.B.,Breen, J.N.,Green, O.M.,Guler, S.Y.,Hentemann, M.F.,Loch, J.T.,McKenzie, A.R.,Newman, J.V.,Otterson, L.G.,Martinez-Botella, G. Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region. J.Med.Chem., 57:4584-4597, 2014 Cited by PubMed: 24828090 DOI: 10.1021/jm500463c PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.94 Å)

Structure validation