4E3N

Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor

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)	Beta-lactamase	polymer	358	39587.9	2	UniProt (P00811) Pfam (PF00144)	Escherichia coli	Cephalosporinase
2	C, E (A, B)	[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid	non-polymer		351.1	2	Chemie (0NE)
3	D, F, G (A, B)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
4	H, I (A, B)	water	water		18.0	549	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79175.8
Non-Polymers*	Number of molecules	5
	Total formula weight	987.1
All*	Total formula weight	80162.9

*Water molecules are not included.