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. Author manuscript; available in PMC: 2021 May 26.
Published in final edited form as: ACS Catal. 2018 Dec 28;9(2):1329–1336. doi: 10.1021/acscatal.8b04324

Table 1.

Calculated Free Energy Profile for the Catalytic Reaction of T4 Endonuclease VIIa

ref wild type H43N
ΔGpt Δg‡,NA Δg Δgobs  ΔGpt Δg‡,NA Δg Δgobs WT ΔGpt Δg‡,NA Δg
10.93 33 43.93 43.93 2.75 20.40 23.02 21.48 17.47 26.05 41.12
a

Free energies (kcal/mol) of the proton transfer (PT) step, the nucleophilic attack (NA) step, and the total barrier in the reference solution, the wild type, and the H43N mutant of Endo VII as well as the observed barrier converted from kcat from ref 30.