Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii

In this study, we investigated the stereospecificity of hydride transfer from NADH to flavin mononucleotide (FMN) in reactions catalyzed by the FMN‐dependent NADH‐indigo reductase expressed by thermophilic Bacillus smithii. We performed (1)H‐NMR spectroscopy using deuterium‐labeled NADH (4R‐(2)H‐NAD...

Descripción completa

Detalles Bibliográficos
Autores principales: Yoneda, Kazunari, Sakuraba, Haruhiko, Araki, Tomohiro, Ohshima, Toshihisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8255831/
https://www.ncbi.nlm.nih.gov/pubmed/34043290
http://dx.doi.org/10.1002/2211-5463.13200
Descripción
Sumario:In this study, we investigated the stereospecificity of hydride transfer from NADH to flavin mononucleotide (FMN) in reactions catalyzed by the FMN‐dependent NADH‐indigo reductase expressed by thermophilic Bacillus smithii. We performed (1)H‐NMR spectroscopy using deuterium‐labeled NADH (4R‐(2)H‐NADH) and molecular docking simulations to reveal that the pro‐S hydrogen at the C4 position of the nicotinamide moiety in NADH was specifically transferred to the flavin‐N5 atom of FNM. Altogether, our findings may aid in the improvement of the indigo dyeing (Aizome) process.

Ejemplares similares