Table 1.
Calculated Free Energy Profile for the Catalytic Reaction of T4 Endonuclease VIIa
ref | wild type | H43N | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
ΔGpt | Δg‡,NA | Δg‡ | ΔGpt | Δg‡,NA | Δg‡ | 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 |
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.