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. Author manuscript; available in PMC: 2021 Oct 22.
Published in final edited form as: J Phys Chem B. 2020 Oct 8;124(42):9371–9384. doi: 10.1021/acs.jpcb.0c07863

Table 3:

Comparison of charges of Onuc and Olg in transition state of PP1-Mn/Zn and AP-Zn/Mn.

pKa PP1-Mn PP1-Zn AP-Zn AP-Mn
Substrate LG pKa Onuc Olg Onuc Olg Onuc Olg Onuc Olg
pNPP 7.0 −1.01 −0.82 −1.14 −0.83 −0.95 −0.74 −0.88 −0.75
pCNPP 8.0 −1.01 −0.83 −1.13 −0.83 −0.95 −0.76 −0.88 −0.76
mCNPP 8.6 −1.01 −0.83 −1.13 −0.84 −0.94 −0.78 −0.88 −0.78
mCLPP 8.8 −1.01 −0.83 −1.01 −0.84 −0.94 −0.78 −0.88 −0.78
pCLPP 9.3 −1.01 −0.84 −1.12 −0.84 −0.94 −0.78 −0.88 −0.78
PP 10.0 −1.00 −0.84 −1.23 −0.84 −0.94 −0.79 −0.90 −0.83
pMPP 10.2 −1.00 −0.84 −1.11 −0.84 −0.94 −0.79 −0.87 −0.79