Structural basis for the transformation of traditional medicine berberine by bacterial nitroreductase
Hai-Ying Wen, Li-Bin Pan, Shu-Rong Ma, Xin-Yu Yang, Jia-Chun Hu, Hai-Fan Zhao, Zeng-Qiang Gao, Yu-Hui Dong, Jian-Dong Jiang, Yan Wang and Heng Zhang [1]
Molecular Tour
Crystal structure of bacterial nitroreductase (NR) NfsB in complex with the traditional medicine berberine (BBR) showed . The two subunits of NfsB dimer are shown in green and cyan, respectively. The molecules FMN, BBR and DMSO are shown as state blue, magenta and yellow ball-and-sticks, respectively. BBR is mainly stabilized by . Several well-ordered probably donate protons in conjunction with electron transfer from FMN for BBR reduction. Water molecules are shown as red spheres. .
A proposed mechanism of BBR-to-dhBBR conversion by bacterial NRs
Remember to drag the structures with the mouse to rotate them.
References
- ↑ Wen HY, Pan LB, Ma SR, Yang XY, Hu JC, Zhao HF, Gao ZQ, Dong YH, Wang Y, Zhang H. Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase. Acta Crystallogr D Struct Biol. 2022 Oct 1;78(Pt 10):1273-1282. doi:, 10.1107/S2059798322008373. Epub 2022 Sep 27. PMID:36189746 doi:http://dx.doi.org/10.1107/S2059798322008373
