Accueil > Publications > Recherche par années > Années 2000 > 2001

Sy, D ; Flouzat, C ; Eon, S ; Charlier, M ; Spotheim-Maurizot, M

Modelling radiation-induced damage in the lac operator-lac repressor complex. DNA damage : 8-oxoguanine

Theoretical Chemistry Accounts 106 (1-2) 137-145

par Administrateur - publié le

Abstract :

Among the DNA lesions induced by ionising radiation, one of the most abundant base modifications is that of guanine (G) into 8-oxo-7-hydro-2’-deoxyguanosine (oxoG). The Escherichia coil lac operator-lac repressor complex bearing one or several oxoG was studied by molecular modelling. The initial structure of the complex was obtained from the Protein Data Bank (1CJG entry model 1). Systematic replacements of G by oxoG were carried out. Modelling involved energy-minimisation and simulated-annealing techniques using the Amber force field.