Genetic Variability at the ADP Ribose Binding Site of SARS-CoV-2 Macrodomain and Predicting Its Effects on ADP Ribose Binding

In this report, I will explain how we identified the ADP ribose (ADPr) binding site of Mac1 and its druggability measure, and list the residues lining that site. Then I will present diversity dendrograms of UniProt entries of Alpha- and Betacoronavirus genera while focusing on Mac1 ADPr binding site. Following that, I will show the predicted effects on ADPr binding to Mac1 due to changes in Gibbs free energy of ligand binding as a result of the non-synonymous variants that Nicola De Maio, our collaborator from European Bioinformatics Institute, has identified at ADPr binding site.