Target selection and statistics

Dynameomics targets were selected from the Consensus Domain Dictionary. Approximately one-third of the selected targets are enzymes, mostly transferases and hydrolases. Most of the enzymes of glycolysis are included. In addition to enzymes, the simulated domains were drawn from a wide range of proteins, including nucleotide binding proteins, enzyme inhibitors, structural proteins, and transcription factors.

The 807 Dynameomics targets come from 218 different source organisms. Because we intentionally selected human proteins where a suitable structure was available, human proteins are well represented (127 targets). Many targets come from other model organisms, such as Escherichia coli, yeast (Saccharomyces cerevisiae), Arabidopsis thaliana, Drosophila melanogaster, mouse, and rat. Our set set also includes a large number of thermophilic (91 proteins from 14 species) and hyperthermophilic (52 proteins from 10 species) targets, reflecting the increased importance of these proteins in structural biology.