ProtMiscuity: Promiscuos Proteins Database

VELEZ RUEDA, ANA JULIA; PALOPOLI, NICOLÁS; PARISI GUSTAVO

Bernal

Simposio; 3ra Reunión de Jóvenes Investigadores de Ciencia y Tecnología; 2018

ProtMiscuity: Promiscuous Proteins Database Ana Julia Velez Rueda​1​, Nicolás Palopoli​1​ and Gustavo Parisi​1​. 1. Departamento de Ciencia y Tecnología, CONICET, Universidad Nacional de Quilmes, Roque Sáenz Peña 352 - Bernal, B1876BXD, Provincia de Buenos Aires, Argentina. Even when protein promiscuity has been greatly studied in the last few years the term promiscuity is not well defined yet. In order to contribute to a further understanding of the phenomena, we have developed a database to study the relationship between conformational diversity and protein promiscuity. ProtMiscuity is a collection of proteins recruited from bibliography and extensively linked with other databases with structural, functional and conformational information. As a result, we obtained 99 entries related to 66 promiscuous proteins with one or more characterized promiscuous activities. Catalysed reactions, both promiscuous and canonical, were characterized with information such as substrates, products, Km, Kcat, active site composition and 3D arrangement and reaction conditions. ProtMiscuity is linked with other databases providing additional information such as conformational extension (CoDNaS) and protein function (KEGG, Uniprot , Atlas Catalytic Site, QuickGo) as well as structural details (PDB) for each protein. In addition, substrates and products were related to the information available in PDB Ligand Expo to obtain possible ligands with chemical similarity. A total of 68 different promiscuous reactions were characterized and a final amount of 220 molecules were related with corresponding reactions. Interestingly, the 32.31% of the proteins in the database have more than one promiscuous associated activity, being the esterase activity the most common promiscuous activity. Promiscuity could allow users to browse well-curated experimentally based information that could be used to increase our understanding the underlying mechanisms of protein promiscuity as well to design experiments in industrial, biotechnological and drug design applications.