This presentation is on the theoretical computational study of the DNA photolyase from E. coli. Continuum electrostatic method [4] is employed to get a full insight into the photoactivation mechanism of the enzyme. Protonation state of titratable residues, the redox potentials of tryptophan triad, energetics and the reaction rates are calculated and compared with available experimental data. The free energies of all potentially relevant states for the radical transfer during the photoactivation process are evaluated.
Keywords:
computational study / DNA photolyase
Source:
Book of abstracts - 8th International Conference of the Chemical Societies of the South-East European Countries (ICOSEC 8), June 27-29, 2013, Belgrade, Serbia, 2013, 102-
TY - CONF
AU - Popović, Dragan
PY - 2013
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5878
AB - This presentation is on the theoretical computational study of the DNA photolyase from E. coli. Continuum electrostatic method [4] is employed to get a full insight into the photoactivation mechanism of the enzyme. Protonation state of titratable residues, the redox potentials of tryptophan triad, energetics and the reaction rates are calculated and compared with available experimental data. The free energies of all potentially relevant states for the radical transfer during the photoactivation process are evaluated.
PB - Serbian Chemical Society
C3 - Book of abstracts - 8th International Conference of the Chemical Societies of the South-East European Countries (ICOSEC 8), June 27-29, 2013, Belgrade, Serbia
T1 - Photoactivation mechanism of DNA photolyase
SP - 102
UR - https://hdl.handle.net/21.15107/rcub_cer_5878
ER -
@conference{
author = "Popović, Dragan",
year = "2013",
abstract = "This presentation is on the theoretical computational study of the DNA photolyase from E. coli. Continuum electrostatic method [4] is employed to get a full insight into the photoactivation mechanism of the enzyme. Protonation state of titratable residues, the redox potentials of tryptophan triad, energetics and the reaction rates are calculated and compared with available experimental data. The free energies of all potentially relevant states for the radical transfer during the photoactivation process are evaluated.",
publisher = "Serbian Chemical Society",
journal = "Book of abstracts - 8th International Conference of the Chemical Societies of the South-East European Countries (ICOSEC 8), June 27-29, 2013, Belgrade, Serbia",
title = "Photoactivation mechanism of DNA photolyase",
pages = "102",
url = "https://hdl.handle.net/21.15107/rcub_cer_5878"
}
Popović, D.. (2013). Photoactivation mechanism of DNA photolyase. in Book of abstracts - 8th International Conference of the Chemical Societies of the South-East European Countries (ICOSEC 8), June 27-29, 2013, Belgrade, Serbia
Serbian Chemical Society., 102.
https://hdl.handle.net/21.15107/rcub_cer_5878
Popović D. Photoactivation mechanism of DNA photolyase. in Book of abstracts - 8th International Conference of the Chemical Societies of the South-East European Countries (ICOSEC 8), June 27-29, 2013, Belgrade, Serbia. 2013;:102.
https://hdl.handle.net/21.15107/rcub_cer_5878 .
Popović, Dragan, "Photoactivation mechanism of DNA photolyase" in Book of abstracts - 8th International Conference of the Chemical Societies of the South-East European Countries (ICOSEC 8), June 27-29, 2013, Belgrade, Serbia (2013):102,
https://hdl.handle.net/21.15107/rcub_cer_5878 .
