Molecular dynamics study on conformational differences between dGMP and 8-oxo-dGMP: Effects of metal ions
Molecular dynamics simulations of dGMP and 8-oxo-dGMP were performed. 8-oxo-dGMP adopted both the syn and anti conformations. Metal ions increased the proportion of the anti conformation of 8-oxo-dGMP. Ionic radius and charge influenced the stable anti conformations of 8-oxo-dGMP. Metal ions may promote the binding of 8-oxo-G to nucleotide-sanitizing enzymes.
conformation molecular dynamics simulations nucleotide-sanitizing enzyme mononucleotide 8-oxo-dgtp divalent ion