5A5Z

Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	BETA-LACTAMASE NDM-1	polymer	251	26834.2	2	UniProt (C7C422) Pfam (PF00753) In PDB	KLEBSIELLA PNEUMONIAE	NDM-1, METALLO-BETA-LACTAMASE NDM-1
2	A, C	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	A, C	TIOPRONIN	non-polymer		163.2	2	Chemie (WJZ)
4		water	water		18.0	70	Chemie (HOH)

Sequence modifications

A, C: 29 - 270 (UniProt: C7C422)

PDB	External Database	Details
Met 28	-	expression tag
Leu 271	-	expression tag
Glu 272	-	expression tag
His 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53668.3
Non-Polymers*	Number of molecules	6
	Total formula weight	588.0
All*	Total formula weight	54256.4

*Water molecules are not included.