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. Author manuscript; available in PMC: 2014 Apr 23.
Published in final edited form as: Biochemistry. 2013 Apr 12;52(16):2828–2838. doi: 10.1021/bi400163k

Figure 3.

Figure 3

Mechanism for the proton β-elimination reaction catalyzed by M.HhaI. (A) A proton wire provides a OH− as the base to abstract the cytosine C5 proton (H5). The chain of water molecules connecting to surface bulk water is shown by dashed lines. WAT1 and WAT3 are at the sites of the respective crystal waters shown in Figure 1B and WAT1 provides the OH−. (B) The mechanism with the key structures and distances denoted. The blue dashed lines are hydrogen bonds. Red dashed lines denote key distances. (C) Free energy profile. See Movie S2 of Supporting Information.