Research output: Contribution to journal › Article › peer-review
Magnesium cations assist with unpairing hydrogen-bonded 2-deoxyribose trinucleotides. / Tulub, Alexander A.
In: Archives of Biochemistry and Biophysics, Vol. 607, 2016, p. 44-46.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Magnesium cations assist with unpairing hydrogen-bonded 2-deoxyribose trinucleotides
AU - Tulub, Alexander A.
PY - 2016
Y1 - 2016
N2 - 2-deoxyribose trinucleotides are essential units for storage and transfer of the genetic information. Nucleotide transpositions in trinucleotide sequences affect production of different amino acids. The study focuses on the mechanism of unpairing initially H-bonded trinucleotides. In living cells, the unpairing proceeds through DNA polymerase operating only in the presence of Mg cations. The DNA polymerase is a very complex system to be studied quantum chemically. In our simplistic approach, the polymerase is replaced by two Mg cations attached to both sides of the complementary trinucleotides. A distinguished feature of Mg in cell is in its easiness to accept and donate the electron density. In a particular molecular configuration, this makes Mg singly charged. As to the current case, we observe an unpaired electron on the Mg+ and an unpaired electron on the trinucleotide − totally, a radical pair which coupling produces either triplet or singlet state. The study, based on the DFT B3LYP (6-311G** basis set)
AB - 2-deoxyribose trinucleotides are essential units for storage and transfer of the genetic information. Nucleotide transpositions in trinucleotide sequences affect production of different amino acids. The study focuses on the mechanism of unpairing initially H-bonded trinucleotides. In living cells, the unpairing proceeds through DNA polymerase operating only in the presence of Mg cations. The DNA polymerase is a very complex system to be studied quantum chemically. In our simplistic approach, the polymerase is replaced by two Mg cations attached to both sides of the complementary trinucleotides. A distinguished feature of Mg in cell is in its easiness to accept and donate the electron density. In a particular molecular configuration, this makes Mg singly charged. As to the current case, we observe an unpaired electron on the Mg+ and an unpaired electron on the trinucleotide − totally, a radical pair which coupling produces either triplet or singlet state. The study, based on the DFT B3LYP (6-311G** basis set)
KW - Magnesium cations
KW - Oxidation states
KW - Trinucleotides
KW - Unpairing
KW - Nucleotide transpositions
U2 - 10.1016/j.abb.2016.08.013
DO - 10.1016/j.abb.2016.08.013
M3 - Article
VL - 607
SP - 44
EP - 46
JO - Archives of Biochemistry and Biophysics
JF - Archives of Biochemistry and Biophysics
SN - 0003-9861
ER -
ID: 7579217