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

International Conference on Manufacturing Technology, Materials and Chemical Engineering

机械制造;材料科学;化学工业

Mi, Shizhen^1 ; Zhang, Zuoxiu^1 ; Sun, Mengyu^1 ; Zhou, Hengheng^1 ; Xu, Ying^1 ; Song, Na^1

College of Chemistry and Chemical Engineering, Linyi University, Linyi

276000, China^1

关键词: Catalytic functions;    Decarboxylases;    Monophosphates;    Protonated;    Water molecule;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/392/3/032003/pdf
DOI  :  10.1088/1757-899X/392/3/032003

学科分类：材料科学（综合）

来源: IOP

【 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 O4 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.