Journal
MOLECULAR BIOLOGY AND EVOLUTION
Volume 18, Issue 5, Pages 750-756Publisher
SOC MOLECULAR BIOLOGY EVOLUTION
DOI: 10.1093/oxfordjournals.molbev.a003857
Keywords
molecular evolution; protein evolution; simulation
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The aim of this work was to study the relationship between structure conservation and sequence divergence in protein evolution. To this end, we developed a model of structurally constrained protein evolution (SCPE) in which trial sequences, generated by random mutations at gene level, are selected against departure from a reference three-dimensional structure. Since at the mutational level SCPE is completely unbiased, any emergent sequence pattern will be due exclusively to structural constraints. In this first report, it is shown that SCPE correctly predicts the characteristic hexapeptide motif of the left-handed parallel beta helix (L betaH) domain of UDP-N-acetylglucosamine acyltransferases (LpxA).
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