We demonstrate the method with the kinase domain of the Epidermal Growth Factor Receptor (EGFR). Using the inactive conformation as our query, we reproduce the active conformation [4] with root mean square deviation (RMSD) of 1.76A, based on the query’s structural similarity to the inactive conformation of Abl tyrosine-kinase [5], together with the known active conformation of the latter kinase [6]. The sequence identity between the two kinase domains is only 40%, and the fact that they share similar active and inactive conformations might not be obvious. Conclusions
['Aya Narunsky', 'Nir Ben-Tal']
ConTemplate: exploiting the protein databank to propose ensemble of conformations of a query protein of known structure