Author

Yong-Jun Liu

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Sep 2026

Fe(III)–Superoxo σ-Addition and PCET-Driven L-DOPA 4,5-Cleavage by the Nonheme Enzyme Bv DOD in the Biosynthesis Pathway of Betalamic Acid

4,5-DOPA extradiol dioxygenase (BvDOD) catalyzes the ring cleavage of L-DOPA to generate betalamic acid. Although BvDOD shows a similar fold as those of other extradiol dioxygenases, it utilizes an atypical Fe-coordinate active site. Here, we constructed a reactant model and performed MD and QM/MM calculations to exp...

Xiang-Hui Zhang, Zheng-Yu Liang, Jia-Xing Sheng et al. · Inorganic Chemistry · 0 citations

Aug 2026

Catalytic Mechanism of γ-Elimination and Michael Addition Catalyzed by Pyridoxal-5'-Phosphate-Dependent γ-Substitution Enzyme Fub7 Involved in the Biosynthesis of 5-Alkyl-pipecolic Acid.

Fub7 is a rare pyridoxal 5'-phosphate (PLP)-dependent enzyme that can subsequently catalyze the γ-elimination of O-acetyl-l-homoserine (OAH) and Michael addition with n-valeraldehyde (NVA) to synthesize 5-alkyl-pipecolic acid, which shows significant potential in synthetic chemistry. In this study, we constructed the c...

Jia-Xing Sheng, Xiang-Hui Zhang, Zheng-Yu Liang et al. · Journal of Chemical Informat... · 0 citations