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 1H‐NMR spectroscopy using deuterium‐labeled NADH (4R‐2H‐NADH) a...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2021-07-01
|
| Series: | FEBS Open Bio |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/2211-5463.13200 |
| _version_ | 1818727762573131776 |
|---|---|
| author | Kazunari Yoneda Haruhiko Sakuraba Tomohiro Araki Toshihisa Ohshima |
| author_facet | Kazunari Yoneda Haruhiko Sakuraba Tomohiro Araki Toshihisa Ohshima |
| author_sort | Kazunari Yoneda |
| collection | DOAJ |
| 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 1H‐NMR spectroscopy using deuterium‐labeled NADH (4R‐2H‐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. |
| first_indexed | 2024-12-17T22:19:15Z |
| format | Article |
| id | doaj.art-8c91848ee7564377a408ecbb06a1fcb1 |
| institution | Directory Open Access Journal |
| issn | 2211-5463 |
| language | English |
| last_indexed | 2024-12-17T22:19:15Z |
| publishDate | 2021-07-01 |
| publisher | Wiley |
| record_format | Article |
| series | FEBS Open Bio |
| spelling | doaj.art-8c91848ee7564377a408ecbb06a1fcb12022-12-21T21:30:31ZengWileyFEBS Open Bio2211-54632021-07-011171981198610.1002/2211-5463.13200Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithiiKazunari Yoneda0Haruhiko Sakuraba1Tomohiro Araki2Toshihisa Ohshima3Department of Bioscience School of Agriculture Tokai University Kumamoto JapanDepartment of Applied Biological Science Faculty of Agriculture Kagawa University Kita‐gun JapanDepartment of Bioscience School of Agriculture Tokai University Kumamoto JapanDepartment of Biomedical Engineering Faculty of Engineering Osaka Institute of Technology JapanIn 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 1H‐NMR spectroscopy using deuterium‐labeled NADH (4R‐2H‐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.https://doi.org/10.1002/2211-5463.13200H‐NMRcofactor stereospecificityFMN‐dependent NADH‐indigo reductasemolecular docking simulation |
| spellingShingle | Kazunari Yoneda Haruhiko Sakuraba Tomohiro Araki Toshihisa Ohshima Stereospecificity of hydride transfer and molecular docking in FMN‐dependent NADH‐indigo reductase of Bacillus smithii FEBS Open Bio H‐NMR cofactor stereospecificity FMN‐dependent NADH‐indigo reductase molecular docking simulation |
| 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 | H‐NMR cofactor stereospecificity FMN‐dependent NADH‐indigo reductase molecular docking simulation |
| url | https://doi.org/10.1002/2211-5463.13200 |
| work_keys_str_mv | AT kazunariyoneda stereospecificityofhydridetransferandmoleculardockinginfmndependentnadhindigoreductaseofbacillussmithii AT haruhikosakuraba stereospecificityofhydridetransferandmoleculardockinginfmndependentnadhindigoreductaseofbacillussmithii AT tomohiroaraki stereospecificityofhydridetransferandmoleculardockinginfmndependentnadhindigoreductaseofbacillussmithii AT toshihisaohshima stereospecificityofhydridetransferandmoleculardockinginfmndependentnadhindigoreductaseofbacillussmithii |