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Nucleic Acids Research, 1983, Vol. 11, No. 15 5205-5222
© 1983

CHEMISTRY

Possible conformations of double-helical polynucleotides containing incorrect base pairs

Vasily P. Chuprina and Valery I. Poltev

Institute of Biological Physics, Academy of Sciences of the USSR Pushchino, Moscow Region, USSR

Received June 15, 1983. Accepted July 13, 1983.

Theoretical conformational analysis using classical potential functions has shown the possibility of incorporation of nucleotide mispairs with the bases in normal tautomeric forms into the DNA double helix. Incorrect purine-pyrimidine, purine-purine and pyrimidine-pyrimidine pairs can be incorporated into the double helix existing both in A- and B-conformations. The most energy favourable conformations of fragments containing a mispair have all the dihedral angles of the sugar-phosphate backbone within the limits characteristic of double helices consisting of Watson-Crick nucleotide pairs. Incorporation of mispaljrs is possible practically without the appearance of reduced interatomic contacts. Mutual position of bases in the incorporated mispair does not differ much from their position at the energy minimum of the corresponding isolated base pairs. Conformational parameters of irregular regions of double-stranded polynucleotides containing G:U, I:A, I:A*(syn) and U:C pairs are presented. Distortion of the sugar-phosphate backbone is the least upon incorporation of the G:U pair. Formation of mispairs in the processes of nucleic acid biosynthesis and spontaneous mutagenesls is discussed.


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