The protonation process in decarboxylation of OMP catalyzed by Orotidine 5'-Monophosphate Decarboxylase

摘要

In this article, the protonation processes before and after decarboxylation of orotidine 5'-monophosphate (OMP) catalyzed by orotidine 5'-monophosphate decarboxylase (ODCase) is investigated theoretically at both Hartree-Fork and density functional theory (DFT) levels. The results indicate that firstly 04 is protonated by residues of ODCase bridged by water molecules. Then, after decarboxylation, a fast stepwise protonation process happens. Additionally, the catalytic function of Lys-93 is also discussed. The protonation process plays an important role in the whole reaction.