4GFD

Thymidylate kinase (TMK) from S. Aureus in complex with TK-666

Summary for 4GFD

Entry DOI	10.2210/pdb4gfd/pdb
Related	4DWJ 4EAQ 4F4I 4HDC
Descriptor	Thymidylate kinase, 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (3 entities in total)
Functional Keywords	kinase, 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	48078.17
Authors	Olivier, N.B.,Martinez-Botella, G.,Keating, T. (deposition date: 2012-08-03, release date: 2012-10-24, Last modification date: 2024-02-28)
Primary citation	Keating, T.A.,Newman, J.V.,Olivier, N.B.,Otterson, L.G.,Andrews, B.,Boriack-Sjodin, P.A.,Breen, J.N.,Doig, P.,Dumas, J.,Gangl, E.,Green, O.M.,Guler, S.Y.,Hentemann, M.F.,Joseph-McCarthy, D.,Kawatkar, S.,Kutschke, A.,Loch, J.T.,McKenzie, A.R.,Pradeepan, S.,Prasad, S.,Martinez-Botella, G. In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound. Acs Chem.Biol., 7:1866-1872, 2012 Cited by PubMed: 22908966 DOI: 10.1021/cb300316n PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation