Automatic prediction of catalytic residues by modeling residue structural neighborhood.

ABSTRACT:

Background

Prediction of catalytic residues is a major step in characterizing the function of enzymes. In its simpler formulation, the problem can be cast into a binary classification task at the residue level, by predicting whether the residue is directly involved in the catalytic process. The task is quite hard also when structural information is available, due to the rather wide range of roles a functional residue can play and to the large imbalance between the number of catalytic and non-catalytic residues.

Results

We developed an effective representation of structural information by modeling spherical regions around candidate residues, and extracting statistics on the properties of their content such as physico-chemical properties, atomic density, flexibility, presence

SUBMITTER: Cilia E 

PROVIDER: S-EPMC2844391 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature