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. 2008 Jul 3;95(7):3259–3268. doi: 10.1529/biophysj.108.132183

FIGURE 1.

FIGURE 1

The schematics of energy surfaces for electron transfer in the MutY-DNA complex. In the initial state, the [4Fe-4S] cluster in MutY is in 2+ charge state, and a hole is located at the DNA base; in the final state, the [4Fe-4S] cluster is in 3+ charge state, and the DNA base is neutral. Using Marcus theory, three different regimes appear in our calculation: (a) the electron transfer from a wild-type MutY to the oxoguanine in the nonrepair position in DNA is near the optimal region; (b) the electron transfer from a wild-type MutY to the guanine in the nonrepair position is in the inverted region; and (c) the MutY mutation L154F causes the electron transfer to the oxoguanine in the nonrepair position to be in the normal region.