Theoretical study about remarkable stability of guanine tetramer.
The cyclic guanine tetramer (G-quartet) formation was theoretically studied. Total hydrogen bond energy in a G-quartet was large (-70.89 kcal/mol). though the hydrogen bond energy in Hoogsteen type guanine dimer was small (-11.26 kcal/mol). A large attractive interaction (-57.84 kcal/mol) was observed for stacking interaction. The hydration effect should be considered to explain the selectivity of metal incorporation into the G-quartet.
Kawahara
Shun-ichi
S
National Food Research Institute, Biological Function Division, Molecular Function Laboratory, 2-1-12 Kannondai, Tsukuba, Ibaraki 305-8642, Japan.
Takagi
Yasuomi
Y
Taira
Kazunari
K
Kobayashi
Hideyuki
H
D006147:Guanine / Q000737:chemistry*; D006860:Hydrogen Bonding; D008670:Metals / Q000737:chemistry; D008962:Models, Theoretical; D009690:Nucleic Acid Conformation; D013816:Thermodynamics
D008670:Metals; D006147:Guanine