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- W2022178207 abstract "The wobble hypothesis suggested by Crick explains the general nature of the degeneracy of the genetic code. Recently the question of the extent to which the configuration of a solitary base pair may determine whether it will occur at the wobble position or not was addressed [G. Das, R.H.D. Lyngdoh, J. Mol. Struct. (THEOCHEM) 851 (2008) 319]. The present theoretical study is intended to address the same question and to define the limits of flexibility required to rule out or accept a candidate wobble pair at a higher computational level. Eight bases (acting as the anticodon wobble base) are made to pair via H-bonding with four major RNA bases (acting as the codon wobble base). This study presents optimized structures of dozens of base pairs and their binding enthalpies, ranging from −5.1 to −26.4 kcal/mol at the B3P86/6-311++G** level of calculation. It is found that neither the charge transferred between the components of a base pair nor binding enthalpy is a decisive factor for the occurrence of a given pair. However, the latter have, on average, a significantly higher value for the allowed pairs than for the non-allowed ones. For the base pairs several configuration markers are evaluated and tabulated; one of them, the local planarity parameter, is proposed here for the first time. It mirrors the local planarity of a base pair in the domain of hydrogen bonds. Values of these markers screen effectively between experimentally observed and unobserved pairs for all of the cases examined here but one." @default.
- W2022178207 created "2016-06-24" @default.
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- W2022178207 date "2009-11-01" @default.
- W2022178207 modified "2023-09-27" @default.
- W2022178207 title "Quantum chemical considerations on degeneracy of the genetic code: Anticodon–codon wobble base pairing" @default.
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- W2022178207 doi "https://doi.org/10.1016/j.theochem.2009.08.006" @default.
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