“False” thymine-1H-enol guanine base pair. Low misinsertion rate by DNA polymerase explained by computational chemistry consideration

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Formation of correct TA and GC and “false” thymine-1H-enol guanine (TGenol) base pairs is here considered to control nucleotide insertion into DNA via low substrate concentration Michaelis-Menten controlled kinetics. Contributions of base pairing to formation of Gibbs free energies in water solution, ΔΔG, are calculated for the correct and false base pairs with the semi-empiric MNDO/PM3 method for base pairing energies in vacuum and the BEM method for hydration effects. The results for ΔΔG indicate equal insertion rates for correct base pairing and a 10−3−10−4error probability for false insertion controlled by the TGenol false pair.

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