6IBS

Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6

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)	Metallo-beta-lactamase type 2	polymer	244	25860.1	2	UniProt (C7C422) Pfam (PF00753)	Klebsiella pneumoniae	B2 metallo-beta-lactamase,Beta-lactamase type II,Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase type II,New Delhi metallo-beta-lactamase-1,NDM-1
2	C, D, H, I (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	E, J (A, B)	[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide	non-polymer		310.2	2	Chemie (HB8)
4	F, G, K, L (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	M, N (A, B)	water	water		18.0	370	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	51720.3
Non-Polymers*	Number of molecules	10
	Total formula weight	1042.3
All*	Total formula weight	52762.5

*Water molecules are not included.