Mapping the mutual information network of enzymatic families in the protein structure to unveil functional features.

ABSTRACT: Amino acids committed to a particular function correlate tightly along evolution and tend to form clusters in the 3D structure of the protein. Consequently, a protein can be seen as a network of co-evolving clusters of residues. The goal of this work is two-fold: first, we have combined mutual information and structural data to describe the amino acid networks within a protein and their interactions. Second, we have investigated how this information can be used to improve methods of prediction of functional residues by reducing the search space. As a main result, we found that clusters of co-evolving residues related to the catalytic site of an enzyme have distinguishable topological properties in the network. We also observed that these clusters usually evolve independently, which could b

SUBMITTER: Aguilar D 

PROVIDER: S-EPMC3405127 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature