4QGH

S.aureus TMK in complex with potent inhibitor compound 47

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 (Q6GJI9) Pfam (PF02223)	Staphylococcus aureus subsp. aureus	dTMP kinase
2	C, D (A, B)	2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid	non-polymer		544.0	2	Chemie (32E)
3	E, F (A, B)	water	water		18.0	267	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	1088.0
All*	Total formula weight	47997.2

*Water molecules are not included.