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. Author manuscript; available in PMC: 2008 Oct 7.
Published in final edited form as: J Am Chem Soc. 2008 Jul 31;130(34):11399–11408. doi: 10.1021/ja802264j

Figure 2.

Figure 2

Smallest continuous hydrogen bonded water wire that connects the zinc-bound water/hydroxide and the protonated/unprotonated Nδ of His64. (A) Water wire distribution for WT-ZnH2O2+-His in the “in” orientation (black no fill), WT-ZnH2O2+-His in the “out” orientation (black with black fill), WT-ZnOH+-HisH+ in the “out” orientation (red with red fill). (B) Water wire distribution for Y7F-ZnH2O2+-His in the “in” orientation (black no fill), Y7F-ZnH2O2+-His in the “out” orientation (black with black fill), Y7F-ZnOH+-HisH+ in the “out” orientation (red with red fill).