Fast and automated functional classification with MED-SuMo: an application on purine-binding proteins.

ABSTRACT: Ligand-protein interactions are essential for biological processes, and precise characterization of protein binding sites is crucial to understand protein functions. MED-SuMo is a powerful technology to localize similar local regions on protein surfaces. Its heuristic is based on a 3D representation of macromolecules using specific surface chemical features associating chemical characteristics with geometrical properties. MED-SMA is an automated and fast method to classify binding sites. It is based on MED-SuMo technology, which builds a similarity graph, and it uses the Markov Clustering algorithm. Purine binding sites are well studied as drug targets. Here, purine binding sites of the Protein DataBank (PDB) are classified. Proteins potentially inhibited or activated through the same mech

SUBMITTER: Doppelt-Azeroual O 

PROVIDER: S-EPMC2867024 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature