4HDC

Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Thymidylate kinase	polymer	205	23454.6	2	UniProt (P65249) Pfam (PF02223)	Staphylococcus aureus subsp. aureus	dTMP kinase
2	C, D (A, B)	2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid	non-polymer		526.0	2	Chemie (13Y)
3	E, F (A, B)	water	water		18.0	163	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	46909.2
Non-Polymers*	Number of molecules	2
	Total formula weight	1052.0
All*	Total formula weight	47961.2

*Water molecules are not included.