Combining structure and sequence information allows automated prediction of substrate specificities within enzyme families.

ABSTRACT: An important aspect of the functional annotation of enzymes is not only the type of reaction catalysed by an enzyme, but also the substrate specificity, which can vary widely within the same family. In many cases, prediction of family membership and even substrate specificity is possible from enzyme sequence alone, using a nearest neighbour classification rule. However, the combination of structural information and sequence information can improve the interpretability and accuracy of predictive models. The method presented here, Active Site Classification (ASC), automatically extracts the residues lining the active site from one representative three-dimensional structure and the corresponding residues from sequences of other members of the family. From a set of representatives with known s

SUBMITTER: Rottig M 

PROVIDER: S-EPMC2796266 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature