Computational Study on the Catalytic Mechanism of UstD Catalyzing the Synthesis of γ-Hydroxy-α-Amino Acids.

• Tác giả: Binbin Chen, Jiahui Huang, Yingchun Liu, Qi Wang, Lirong Yang, Haoran Yu
• Ngôn ngữ: eng
• Thông tin xuất bản: United States : Journal of chemical information and modeling , 2025
• Bộ sưu tập: NCBI
• ID: 642460

Tóm tắt

The catalytic mechanism of a pyridoxal 5'-phosphate (PLP)-dependent UstD was herein studied in atomic detail, employing the computational hybrid QM/MM methodology. UstD is a PLP-dependent enzyme that catalyzes the decarboxylative aldol reactions between l-aspartate and aldehyde or ketone derivatives to form γ-hydroxy-α-amino acids. In the reaction catalyzed by UstD, the loss of CO