title: PAR-3D: a server to predict protein active site residues.
abstract: PAR-3D (http://sunserver.cdfd.org.in:8080/protease/PAR_3D/index.html) is a web-based tool that exploits the fact that relative juxtaposition of active site residues is a conserved feature in functionally related protein families. The server uses previously calculated and stored values of geometrical parameters of a set of known proteins (training set) for prediction of active site residues in a query protein structure. PAR-3D stores motifs for different classes of proteases, the ten glycolytic pathway enzymes and metal-binding sites. The server accepts the structures in the pdb format. The first step during the prediction is the extraction of probable active site residues from the query structure. Spatial arrangement of the probable active site residues is then determined in terms of geometrical parameters. These are compared with stored geometries of the different motifs. Its speed and efficiency make it a beneficial tool for structural genomics projects, especially when the biochemical function of the protein has not been characterized.
authors.affiliation: Centre for DNA Fingerprinting and Diagnostics, ECIL Road, Nacharam, Hyderabad 500 076, India.
authors.forename: Kshama
authors.initials: K
authors.lastname: Goyal
authors.forename: Debasisa
authors.initials: D
authors.lastname: Mohanty
authors.forename: Shekhar C
authors.initials: SC
authors.lastname: Mande
mesh_terms: D001665:Binding Sites; D019295:Computational Biology / Q000379:methods*; D030562:Databases, Protein; D004282:Documentation / Q000379:methods*; D005656:Fungal Proteins; D016247:Information Storage and Retrieval / Q000379:methods*; D020407:Internet; D008024:Ligands; D011485:Protein Binding; D025941:Protein Interaction Mapping / Q000379:methods*; D011506:Proteins / Q000737:chemistry* / Q000145:classification*; D016415:Sequence Alignment / Q000379:methods; D020539:Sequence Analysis, Protein / Q000379:methods*; D012984:Software
chemical_list: D005656:Fungal Proteins; D008024:Ligands; D011506:Proteins