Computational prediction of the mutagenesis effect on CD38's NAD cyclizing activities.

Abstract

A suitable calculation procedure has been introduced to predict the mutagenesis effect on NAD eye/izing activities of CD38, a multifunctional ectoenzvm responsible for catalyzing the conversions from nicotin amide adenine dinucleotide (NAD) to cyclic ADP-riboz (cADPR) and from cADPR to ADP-riboz (ADPR). The results indicate that there are obviously differences between binding energy of NMN on CD38 and on its mutants. That is why all the mutants exhibited enhanced cyclase activiv. There is also a linear relationship between binding energy ofnicotine amide on E146-mutants and kinetic constant of cyclizing