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...

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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
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author Yoneda, Kazunari
Sakuraba, Haruhiko
Araki, Tomohiro
Ohshima, Toshihisa
author_facet Yoneda, Kazunari
Sakuraba, Haruhiko
Araki, Tomohiro
Ohshima, Toshihisa
author_sort Yoneda, Kazunari
collection PubMed
description 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.
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spelling pubmed-82558312021-07-12 Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii Yoneda, Kazunari Sakuraba, Haruhiko Araki, Tomohiro Ohshima, Toshihisa FEBS Open Bio Research Articles 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. John Wiley and Sons Inc. 2021-06-15 /pmc/articles/PMC8255831/ /pubmed/34043290 http://dx.doi.org/10.1002/2211-5463.13200 Text en © 2021 The Authors. FEBS Open Bio published by John Wiley & Sons Ltd on behalf of Federation of European Biochemical Societies https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Articles
Yoneda, Kazunari
Sakuraba, Haruhiko
Araki, Tomohiro
Ohshima, Toshihisa
Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii
title Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii
title_full Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii
title_fullStr Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii
title_full_unstemmed Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii
title_short Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii
title_sort stereospecificity of hydride transfer and molecular docking in fmn‐dependent nadh‐indigo reductase of bacillus smithii
topic Research Articles
url 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
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