2GJN

crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate

2GJN の概要

• エントリーDOI: 10.2210/pdb2gjn/pdb
• 分子名称: hypothetical protein PA1024, FLAVIN MONONUCLEOTIDE, 2-NITROPROPANE, ... (4 entities in total)
• 機能のキーワード: 2-nitropropane dioxygenase, fmn, 2-nitropropane, substrate, oxidoreductase
• 由来する生物種: Pseudomonas aeruginosa PAO1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35406.34

構造登録者

Suh, S.W. (登録日: 2006-03-31, 公開日: 2006-05-16, 最終更新日: 2024-03-13)

主引用文献

Ha, J.Y.,Min, J.Y.,Lee, S.K.,Kim, H.S.,Kim, J.,Kim, K.H.,Lee, H.H.,Kim, H.K.,Yoon, H.J.,Suh, S.W.
Crystal Structure of 2-Nitropropane Dioxygenase Complexed with FMN and Substrate: identification of the catalytic base
J.Biol.Chem., 281:18660-18667, 2006

PubMed Abstract: Nitroalkane compounds are widely used in chemical industry and are also produced by microorganisms and plants. Some nitroalkanes have been demonstrated to be carcinogenic, and enzymatic oxidation of nitroalkanes is of considerable interest. 2-Nitropropane dioxygenases from Neurospora crassa and Williopsis mrakii (Hansenula mrakii), members of one family of the nitroalkane-oxidizing enzymes, contain FMN and FAD, respectively. The enzymatic oxidation of nitroalkanes by 2-nitropropane dioxygenase operates by an oxidase-style catalytic mechanism, which was recently shown to involve the formation of an anionic flavin semiquinone. This represents a unique case in which an anionic flavin semiquinone has been experimentally observed in the catalytic pathway for oxidation catalyzed by a flavin-dependent enzyme. Here we report the first crystal structure of 2-nitropropane dioxygenase from Pseudomonas aeruginosa in two forms: a binary complex with FMN and a ternary complex with both FMN and 2-nitropropane. The structure identifies His(152) as the proposed catalytic base, thus providing a structural framework for a better understanding of the catalytic mechanism.

PubMed: 16682407
DOI: 10.1074/jbc.M601658200

実験手法

X-RAY DIFFRACTION (2.3 Å)