6SGN

Crystal structure of monooxygenase RutA complexed with 2,4-dimethoxypyrimidine.

これはPDB形式変換不可エントリーです。

6SGN の概要

• エントリーDOI: 10.2210/pdb6sgn/pdb
• 関連するPDBエントリー: 6SGG 6SGJ 6SGL 6SGM
• 分子名称: Pyrimidine monooxygenase RutA, FLAVIN MONONUCLEOTIDE, 2,4-dimethoxypyrimidine, ... (4 entities in total)
• 機能のキーワード: monooxygenase, ruta, fmn, flavin-n5-oxide, bioengineering, flavoprotein
• 由来する生物種: Escherichia coli (strain K12)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40576.62

構造登録者

Saleem-Batcha, R.,Matthews, A.,Teufel, R. (登録日: 2019-08-05, 公開日: 2020-02-05, 最終更新日: 2024-01-24)

主引用文献

Matthews, A.,Saleem-Batcha, R.,Sanders, J.N.,Stull, F.,Houk, K.N.,Teufel, R.
Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16:556-563, 2020

PubMed Abstract: One of the hallmark reactions catalyzed by flavin-dependent enzymes is the incorporation of an oxygen atom derived from dioxygen into organic substrates. For many decades, these flavin monooxygenases were assumed to use exclusively the flavin-C4a-(hydro)peroxide as their oxygen-transferring intermediate. We demonstrate that flavoenzymes may instead employ a flavin-N5-peroxide as a soft α-nucleophile for catalysis, which enables chemistry not accessible to canonical monooxygenases. This includes, for example, the redox-neutral cleavage of carbon-hetero bonds or the dehalogenation of inert environmental pollutants via atypical oxygenations. We furthermore identify a shared structural motif for dioxygen activation and N5-functionalization, suggesting a conserved pathway that may be operative in numerous characterized and uncharacterized flavoenzymes from diverse organisms. Our findings show that overlooked flavin-N5-oxygen adducts are more widespread and may facilitate versatile chemistry, thus upending the notion that flavin monooxygenases exclusively function as nature's equivalents to organic peroxides in synthetic chemistry.

PubMed: 32066967
DOI: 10.1038/s41589-020-0476-2

実験手法

X-RAY DIFFRACTION (2.501 Å)