2018/11/06 by Attabey Rodríguez Benítez, Sara Tweedy, Summer A. Baker Dockrey +6 · 1 citation
Agricultural and Biological Sciences · Biochemistry, Genetics and Molecular Biology · Chemistry · #Enzyme-mediated dye degradation #Photosynthetic Processes and Mechanisms #Metal-Catalyzed Oxygenation Mechanisms
paper · doi:10.26434/chemrxiv.7297766.v1
openalex publication_date 2018/11/06 · openalex created_date 2022/05/12 · openalex updated_date 2026/07/28
Herein, we disclose the structural basis for substrate binding in TropB, which performs a synthetically challenging asymmetric oxidative dearomatization reaction with exquisite site- and stereoselectivity across a range of substrates, providing a foundation for future protein engineering and reaction development efforts. Our hypothesis for substrate binding is informed by the first crystal structure of TropB and molecular dynamics simulations with the corresponding computational TropB model and is supported by experimental data.