A Systematic Analysis of the Substrate Scope of (S)- and (R)-Selective Amine Transaminases

Amine transaminases (ATAs) have emerged as an important group of biocatalysts for the synthesis of optically pure amines over the past few decades. In the same way, the amount of available data for ATA-catalyzed reactions has increased significantly, forming the basis for a deeper understanding of this versatile group of enzymes. These data provide a high potential for relevant information if they can be structured and analyzed appropriately, especially for the identification of suitable ATAs for a certain reaction of interest. Following this intention, we started to collect reaction data from the literature for five (S)-selective and seven (R)-selective ATAs, focusing on conversion and enantiomeric excess values as important indicators for activity and selectivity. This resulted in a data collection of almost 500 ATA-catalyzed reactions subdivided into four distinctive substrate classes. Our comparative analysis using a data processing system based on function point analysis created a ranking of the most suitable ATAs for each substrate class, which is illustrated by graphics enabling the quick identification of matching enzymes and substrate combinations. This is accompanied by detailed information from the collected literature to serve as further guidance to choose the most suitable ATA for a reaction of interest. In addition, the presented categorization algorithm is provided in form of a free accessible R script that allows a simple reproduction of analysis results as well as its application to further types of enantioselective biocatalysts.