QUICK PAPER SUMMARIES
EzMechanism: A Novel (and Kind of Unique) Tool for Predicting Enzyme Catalytic Mechanisms
Note for self: see example on the TEM lactamase in Figure 4, and relate to the tolerance to amino acid substitutions in this work:
EzMechanism is an advanced, user-friendly web tool designed to assist researchers in proposing catalytic mechanisms for enzyme reactions. By leveraging a comprehensive database of known enzyme mechanisms, EzMechanism infers possible mechanistic pathways based on the three-dimensional structure of an enzyme’s active site. This tool aims to streamline the hypothesis generation process in enzyme mechanism research, although it currently does not support radical reactions or redox reactions involving metals.
Development and Features
The development of EzMechanism involved creating a robust set of catalytic rules derived from the Mechanism and Catalytic Site Atlas (M-CSA). These rules encapsulate common chemical transformations occurring within enzyme active sites and are codified as chemical reaction equations. Researchers extracted 7,218 catalytic rules from 691…
