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

FIGURE 3.

FIGURE 3

The best electron tunneling pathway in the BsMutY-DNA complex after MD simulation. MutY is bound to the specific site of the oxoG-A mismatch, where the adenine (A18) is extruded from the DNA helix and is inserted into an extrahelical pocket in the catalytic domain of MutY. The best pathway (shown in yellow) is the electron transfer from the [4Fe-4S] cluster, through Cys-198, Arg-149 to A17 in the DNA with the donor-acceptor distance being 18.2 Å. The electron tunnels through two hydrogen bonds in the pathway with one between Cys-198 and Arg-149 and the other between Arg-149 and the phosphate group of the backbone of the DNA.