"False" thymine-1H-Enol guanine base pair. low misinsertion rate by DNA polymerase explained by computational chemistry consideration

Biochemistry (Mosc). 2007 Mar;72(3):328-31. doi: 10.1134/s000629790703011x.


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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Base Pair Mismatch*
  • Base Pairing*
  • Computer Simulation
  • DNA-Directed DNA Polymerase / chemistry*
  • DNA-Directed DNA Polymerase / metabolism
  • Guanine / chemistry*
  • Guanine / metabolism
  • Kinetics
  • Models, Chemical
  • Thymine / chemistry*
  • Thymine / metabolism


  • Guanine
  • DNA-Directed DNA Polymerase
  • Thymine