Abstract
The lowest energy conformations for the glycyladenylate molecule are predicted for the first time by a quantum mechanical method of conformational analysis (Extended Hückel Theory). This paper is the continuation of our previous work on the common skeleton of all the aminoacyladenylates; it treats the simultaneous study of the two rotations around the phosphate group. These studies have shown that glycyladenylate presents a flexibility correlated with both the 5′ AMP and the glycine conformations. The number of energy minima, equal to seven when 5′ AMP is in ANTI gt conformation, is restricted when the conformation becomes ANTI gg; this fact is due, for this last 5′ AMP conformation, to a steric obstacle between the adenine base and the sugarphosphate-glycine chain. The knowledge of the possible configurations can constitute a first step towards the understanding of the recognition process between the glycyladenylate molecule and the glycyladenylate t-RNA synthetase.
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