Theoretical study on the oxidation of PreMADH to produce TTQ

• 1、School of Chemistry and Chemical Engineering of Chongqing University,Chongqing 401331

Abstract：In order to explore the factors affect electron transfer in MauG proteins. This paper is mainly touse theoretical calculations to investigate the long- range six-electron transport during the TTQ biosynthesis processes by the MauG catalysis. In the first-step, Asp32-COO oxidizes TrpOH57 via a proton-couTheoretical study on MauG oxidizes PreMADH to produce TTQpled electron transfer mechanism. In the second and third step, it is TrpOH57 that leases the first electron and then Trp108 delivers the second electron. In the process of synthesizing TTQ, it is necessary to transfer 6 protons? from the active center. In the process of synthesizing TTQ, there are six protons needed to be transferred to the targeted environment. Asp32 and Asp76 play important roles in transferring protons from the active center to the surrounding. This finding is helpful to further understand the mechanism of MAUG catalyzed six-electron long-range transfer to produce TTQ, which is of great significance to the development of biomedical science.

Keywords： MauG protein TTQ Electron transfer Theoretical study