Table 2.

Relevant distances in the active sites of MBLs in EP^a or EI^b complexes from X-ray crystallography.

Penicillins					Distance (Å)
PDB code	Enzyme	Resolution (Å)	Hydrolized β-lactam	Reference	Chain	Zn1-Zn2	Wat1-Zn1	Wat1-Zn2	Wat2-Zn2	C7O-Zn1	C7O-Zn2	C3O-Zn2	N4-Zn2
3Q6X	NDM-1a (B1)	1.3	ampicillin	[59]	A	4.6	2.1	3.0	-	2.4	4.3	2.2	2.2
					B	4.6	2.0	3.0	-	2.5	4.3	2.2	2.2
4EYF	NDM-1a (B1)	1.8	penicillin G	[44]	A	4.6	1.9	3.1	-	2.5	4.4	2.2	2.2
					B	4.6	2.0	3.1	-	2.4	4.4	2.1	2.2
4EY2	NDM-1a (B1)	1.2	methicillin	[44]	A	4.6	2.0	3.0	-	2.5	4.4	2.2	2.1
					B	4.6	2.0	3.0	-	2.5	4.4	2.2	2.2
4EYB	NDM-1a (B1)	1.2	oxacillin	[44]	A	4.5	2.0	2.9	-	2.5	4.4	2.2	2.1
					B	4.6	2.0	3.0	-	2.5	4.4	2.1	2.1

Cephalosporins
PDB code	Enzyme	Resolution (Å)	Hydrolized β-lactam	Reference	Chain	Zn1-Zn2	Wat1-Zn1	Wat1-Zn2	Wat2-Zn2	C8O-Zn1	C8O-Zn2	C4O-Zn2	N5-Zn2
2AIO	L1 (B3)a	1.7	moxalactam	[60]		3.7	2.0	2.2	-	2.4	4.2	2.3	2.4
4RL0	NDM-1b (B1)	1.3	cefuroxime	[79]	A	3.8	2.0	2.2	-	2.8	4.2	2.1	2.4
					B	3.8	2.0	2.2	-	2.9	4.2	2.2	2.3
4RL2	NDM-1a (B1)	2.0	cephalexin	[79]	A	4.5	1.8	3.0	-	2.5	4.3	2.3	2.4
					B	4.5	2.0	2.8	-	2.4	4.3	2.3	2.4

Carbapenems
PDB code	Enzyme	Resolution (Å)	Hydrolized β-lactam	Reference	Chain	Zn1-Zn2	Wat1-Zn1	Wat1-Zn2	Wat2-Zn2	C7O-Zn1	C7O-Zn2	C3O-Zn2	N4-Zn2
4EYL	NDM-1a (B1)	1.9	meropenem	[44]	A	4.0	-	-	-	2.3	2.5	3.0	2.2
					B	3.9	-	-	-	2.2	2.7	2.9	2.3
4RBS	NDM-1a (B1)	2.4	meropenem	To be published (Kim, Y. et al)	A	4.0	-	-	-	2.0	3.3	3.0	2.1
					B	4.0	-	-	-	2.2	3.0	3.1	2.1
							Wat1-H118	Wat1-D120	Wat1-H196	Wat1-Zn2	Wat2-Zn2	C3O-Zn2	N4-Zn2
1X8I	CphA (B2)a	1.9	biapenem	[61]			2.7	2.8	4.0	3.4	-	2.4	2.2