Stereospecificity of hydride transfer and molecular docking in FMN-dependent NADH-indigo reductase of Bacillus smithii.
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ABSTRACT:
SUBMITTER: Yoneda K
PROVIDER: S-EPMC8255831 | biostudies-literature | 2021 Jul
REPOSITORIES: biostudies-literature
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Stereospecificity of hydride transfer and molecular docking in FMN-dependent NADH-indigo reductase of Bacillus smithii.
Yoneda Kazunari K Sakuraba Haruhiko H Araki Tomohiro T Ohshima Toshihisa T
FEBS open bio 20210615 7
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 <sup>1</sup> H-NMR spectroscopy using deuterium-labeled NADH (4R-<sup>2</sup> 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 F ...[more]
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