Determination of the impact of point mutations in enzymes can provide insights on their structure, function and dynamical features. In this contribution we will present two examples of combined computational simulations and experimental characterization of specific mutations on APOBEC3 family enzymes. Various members of this enzyme family are involved in HIV-1 restriction, and implicated in various cancers. The first example involves the characterization of a lung cancer variant of APOBEC3H, including a prediction of a rescue mutation. We will also discuss the mutational analysis on human and rhesus APOBEC3C related to the inability of the latter to dimerize compared to the former, resulting in impaired activity. Our results indicate, that three key amino acids at positions 44, 45 and 144 are needed to promote dimerization.

Computational mutational analysis of two APOBEC3 family enzymes

ACS Fall 2021

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