4UNQ

Mtb TMK in complex with compound 36

Summary for 4UNQ

Entry DOI	10.2210/pdb4unq/pdb
Related	4UNN 4UNP 4UNR 4UNS
Descriptor	THYMIDYLATE KINASE, 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, ... (4 entities in total)
Functional Keywords	transferase, transfer (atp tmp phosphotransferase), kinase
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	2
Total formula weight	45235.80
Authors	Read, J.A.,Hussein, S.,Gingell, H.,Tucker, J. (deposition date: 2014-05-30, release date: 2015-06-24, Last modification date: 2024-01-10)
Primary citation	Naik, M.,Raichurkar, A.,Bandodkar, B.S.,Varun, B.V.,Bhat, S.,Kalkhambkar, R.,Murugan, K.,Menon, R.,Bhat, J.,Paul, B.,Iyer, H.,Hussein, S.,Tucker, J.A.,Vogtherr, M.,Embrey, K.J.,Mcmiken, H.,Prasad, S.,Gill, A.,Ugarkar, B.G.,Venkatraman, J.,Read, J.,Panda, M. Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58:753-, 2015 Cited by PubMed: 25486447 DOI: 10.1021/JM5012947 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation