4DF6

Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-lactamase	polymer	265	28272.7	1	UniProt (P0C5C1) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (P9WKD3) In PDB	Mycobacterium tuberculosis	Penicillinase
2	A	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
3	A	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide	non-polymer		267.3	1	Chemie (NXL)
4		water	water		18.0	237	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28272.7
Non-Polymers*	Number of molecules	3
	Total formula weight	457.2
All*	Total formula weight	28729.9

*Water molecules are not included.