5DAX

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with demethylated cyclopeptin

5DAX の概要

• エントリーDOI: 10.2210/pdb5dax/pdb
• 関連するPDBエントリー: 5DAP
• 分子名称: Phytanoyl-CoA dioxygenase family protein (AFU_orthologue AFUA_8G00230), NICKEL (II) ION, 2-OXOGLUTARIC ACID, ... (5 entities in total)
• 機能のキーワード: antibiotics, biosynthesis, alkaloids, viridicatin, desaturase, epoxidase, fragmentation, demethylated cyclopeptin, oxidoreductase
• 由来する生物種: Aspergillus nidulans FGSC A4
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34449.94

構造登録者

Groll, M.,Braeuer, A. (登録日: 2015-08-20, 公開日: 2015-11-25, 最終更新日: 2024-01-10)

主引用文献

Brauer, A.,Beck, P.,Hintermann, L.,Groll, M.
Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55:422-426, 2016

PubMed Abstract: Multienzymatic cascades are responsible for the biosynthesis of natural products and represent a source of inspiration for synthetic chemists. The Fe(II)/α-ketoglutarate-dependent dioxygenase AsqJ from Aspergillus nidulans is outstanding because it stereoselectively catalyzes both a ferryl-induced desaturation reaction and epoxidation on a benzodiazepinedione. Interestingly, the enzymatically formed spiro epoxide spring-loads the 6,7-bicyclic skeleton for non-enzymatic rearrangement into the 6,6-bicyclic scaffold of the quinolone alkaloid 4'-methoxyviridicatin. Herein, we report different crystal structures of the protein in the absence and presence of synthesized substrates, surrogates, and intermediates that mimic the various stages of the reaction cycle of this exceptional dioxygenase.

PubMed: 26553478
DOI: 10.1002/anie.201507835

実験手法

X-RAY DIFFRACTION (1.7 Å)