title: "False" thymine-1H-Enol guanine base pair. low misinsertion rate by DNA polymerase explained by computational chemistry consideration.
abstract: 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, DeltaDeltaG, 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 DeltaDeltaG indicate equal insertion rates for correct base pairing and a 10(-3)-10(-4) error probability for false insertion controlled by the TGenol false pair.
authors: University of Medicine and Pharmacy, Victor Babes Timisoara, Timisoara, Romania. eddie@acad-icht.tm.edu.ro
authors: E
authors: E
authors: Seclaman
authors: L
authors: L
authors: Kurunczi
authors: Z
authors: Z
authors: Simon
mesh_terms: D000465:Algorithms; D020137:Base Pair Mismatch; D020029:Base Pairing; D003198:Computer Simulation; D004259:DNA-Directed DNA Polymerase / Q000737:chemistry* / Q000378:metabolism; D006147:Guanine / Q000737:chemistry* / Q000378:metabolism; D007700:Kinetics; D008956:Models, Chemical; D013941:Thymine / Q000737:chemistry* / Q000378:metabolism
chemical_list: D006147:Guanine; D004259:DNA-Directed DNA Polymerase; D013941:Thymine