Structural Biology and Biochemistry theme - LEGO-CSM: Predictive building blocks for construction functional protein insights

ABSTRACT: Understanding protein function is key for identifying potential new drug targets as well as unravelling their links to pathogenic processes, but experimental annotation is challenging and time-consuming. Protein 3D structure can provide important insights into this task but has been limited to those with regular protein folds. The evolution of protein modelling has provided the ability to structurally explore the entire proteome at great resolution. Despite significant advances in protein function prediction, tools have primarily used sequence information, with variable efficacy and success. We created LEGO-CSM to fill this gap, which is a comprehensive web-based resource that leverages our graph-based signatures and uses protein sequence and/or structure to accurately model key insights that are relevant to protein function characterisation: Localization, Enzyme commission numbers and Gene Ontology terms. LEGO-CSM implements predictive models in a reliable and easy-to-use web server interface at https://biosig.lab.uq.edu.au/lego_csm.