Article

Metal-assisted proton transfer reaction in base pairs.

Department of Applied Chemistry, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
Nucleic Acids Symposium Series 02/2007; DOI:10.1093/nass/nrm113 pp.225-6
Source: PubMed

ABSTRACT We investigated the proton-transfer reactions in guanine-cytosine (GC) pairs with density functional theories. In the GC pair bound to cis-platin, the barrier height of proton-transfer reaction dramatically decreases in comparison with the GC pair without the cis-platin. This is because (a) successive processes of charge transfer from G to cisplatin thereby stabilizing both the GC and G*C pairs and (b) an additional hydrogen bond between G and the ligand of Pt atom. In two GC pairs bound to the cis-platin, the single proton-transfer reaction occurs in one of the two GC pairs. No simultaneous single proton-transfer reaction can occur in both base pairs. From the geometry optimization, two different single proton-transferred structures (cis-(CG*)d-Pt-(GC)p and cis-(CG)d-Pt-(G*C)p, where * means a proton donor of G) are as stable as the original structures (CG)d-Pt-(GC)p.

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Keywords

additional hydrogen bond
 
barrier height
 
base pairs
 
CG)d-Pt-(GC)p
 
density functional theories
 
different single proton-transferred structures
 
G*C pairs
 
GC
 
GC pair
 
GC pairs
 
geometry optimization
 
guanine-cytosine
 
proton donor
 
proton-transfer reaction
 
proton-transfer reactions
 
Pt atom
 
simultaneous single proton-transfer reaction
 
single proton-transfer reaction
 
stable
 
two GC pairs