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Possible incorporation of the purine–purine mispairs in the DNA helix and the interpretation of the transversion‐type point mutations
Author(s) -
Kothekar V.,
Bolis G.,
Rein Robert
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560230418
Subject(s) - transversion , tautomer , dna , base pair , chemistry , point mutation , hydrogen bond , purine , stereochemistry , crystallography , molecule , mutation , biochemistry , enzyme , gene , organic chemistry
The stereochemical and energetic compatibility of incorporation of the non‐Watson–Crick hydrogen bonded purine–purine base pairs of normal tautomers in the helical structure of B‐DNA is studied here. The hydrogen bonding positions of the possible “mispairs” of the bases GA, GG, and AA are optimized first in the base plane by translational and rotational movement along the hydrogen bonds and then introduced at an appropriate position in the DNA structure. The optimum backbone geometries which can accommodate the “mispairs” are obtained by force field computations. The stereochemical and energetic aspects of the various mispairs are discussed in light of their possible incorporation in DNA and as mutational intermediates for the “transversion”‐type point mutations.