Table 3.

Summary of Water pK_a Calculations for Other Metallonucleases

Enzyme	Pdb	Form	Metal	pKa,app H2O
EcoRV	1SX5a	WT	Mn(II)e	4.6
		K92 off		6.7
T7 Enase I	1M0Db	WT	Mn(II)e	6.3
		K67 off		7.8
TnsA	1F1Zc	WT	Mg(II)f	6.3
		K132 off		7.9
NgoMIV	1FIUd	WT	Mg(II)f	5.6
		K187 off		7.2

^aRef. [58],

^bRef.[59],

^cRef.[60],

^dRef.[61].

^eModel or starting pK_a for Mn(II) is 10.6;

^fModel or starting pK_a for Mg(II) is 11.4.

pK_a’s shift from these values as a result of the calculations.