4QGF
S.aureus TMK in complex with the potent inhibitor compound 38, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{(1R)-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]PROPYL}BENZOIC ACID
Summary for 4QGF
Entry DOI | 10.2210/pdb4qgf/pdb |
Related | 4QG7 4QGF 4QGG 4QGH |
Descriptor | Thymidylate kinase, 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid (3 entities in total) |
Functional Keywords | thymidine monphosphate, soluble, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Staphylococcus aureus subsp. aureus |
Total number of polymer chains | 2 |
Total formula weight | 47965.17 |
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: 24828090DOI: 10.1021/jm500463c PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.83 Å) |
Structure validation
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