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. Author manuscript; available in PMC: 2008 Oct 17.
Published in final edited form as: Biochemistry. 2007 Feb 14;46(10):2842–2855. doi: 10.1021/bi602436g

Figure 5.

Figure 5

Computational studies on the effects of protonation of compounds 1 (A) and 3 (B) on loss of CO2 and bond lengths. Protonation of 1 at C4 or 3 at N5 results in bond cleavage and CO2 dissociation.