Flavin Charge Transfer Transitions Assist DNA Photolyase Electron Transfer.

ABSTRACT: This contribution describes molecular dynamics, semi-empirical and ab-initio studies of the primary photo-induced electron transfer reaction in DNA photolyase. DNA photolyases are FADH(-)-containing proteins that repair UV-damaged DNA by photo-induced electron transfer. A DNA photolyase recognizes and binds to cyclobutatne pyrimidine dimer lesions of DNA. The protein repairs a bound lesion by transferring an electron to the lesion from FADH(-), upon photo-excitation of FADH(-) with 350-450 nm light. We compute the lowest singlet excited states of FADH(-) in DNA photolyase using INDO/S configuration interaction, time-dependent density-functional, and time-dependent Hartree-Fock methods. The calculations identify the lowest singlet excited state of FADH(-) that is populated after photo-excit

SUBMITTER: Skourtis SS 

PROVIDER: S-EPMC3514966 | biostudies-literature | 2007

REPOSITORIES: biostudies-literature