The Protein Structure Initiative (PSI) has led to significant growth in the number of protein structures of unknown or uncertain function.  To predict protein function from 3D structure, we developed a computational method to facilitate the classification and identification of the protein function based on the predicted functional residues. The functional residue predictors THEMATICS and POOL utilize computed chemical properties and are employed in conjunction with Structurally Aligned Local Sites of Activity (SALSAs) to study the enzyme members of the concanavalin-A like lectins/glucanases superfamily. The proteins in this superfamily have a similar fold, consisting of a sandwich of 12-14 beta strands in two sheets, but have diverse biochemical functions. The enzymes in this superfamily were successfully sorted into seven functional subgroups. Functional annotations for some of the structural genomics proteins in this superfamily are generated.

Structurally aligned local sites of activity (SALSAs) for functional characterization of enzyme structures in the concanavalin A-like lectins/glucanases superfamily

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.