The Protein Data Bank (PDB) contains the structures of over 4000 proteins of unknown function. In an attempt to assign function to some of these structures we combined in silico and in vitro analyses focusing on those most likely to be of the hydrolase class. We used bioinformatics tools including the ProMOL plugin to the PyMOL molecular graphics environment, along with BLAST, Pfam, and Dali to predict putative protein functions. Molecular docking of potential substrates was carried out using AutoDock Vina. We expressed and purified the proteins and carried out in vitro activity assays, informed by the in silico-predicted enzyme function. We present data confirming the in vitro hydrolase function of several proteins of known structure but previously unidentified function. These studies used the Biochemistry Authentic Scientific Inquiry Lab (BASIL) modules as a framework and were carried out as part of an undergraduate course-based research experience (CURE).

Hydrolase function confirmation of proteins with known structure but prviously unknown function

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.