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Abstract:
The two nucleotide-binding domains of the flavo-enzyme glutathione reductase have similar chain folds. In order to evaluate whether the observed similarity is significant or not, a mean distance between both chains after best overlay was calculated. Insertions and deletions were taken into account. The significance of the observed similarity was then derived from the corresponding mean distance by evaluating the probability that such a distance is found by chance. This probability was determined from the distribution of mean distances between randomly generated chain folds. Care was taken to ensure that the simulated chain folds fit natural ones as well as possible. The resulting significance for the two domains of glutathione reductase is of the order of 106, which indicates an evolutionary relationship; that is, a gene duplication.
