title: SITEHOUND-web: a server for ligand binding site identification in protein structures.
abstract: SITEHOUND-web (http://sitehound.sanchezlab.org) is a binding-site identification server powered by the SITEHOUND program. Given a protein structure in PDB format SITEHOUND-web will identify regions of the protein characterized by favorable interactions with a probe molecule. These regions correspond to putative ligand binding sites. Depending on the probe used in the calculation, sites with preference for different ligands will be identified. Currently, a carbon probe for identification of binding sites for drug-like molecules, and a phosphate probe for phosphorylated ligands (ATP, phoshopeptides, etc.) have been implemented. SITEHOUND-web will display the results in HTML pages including an interactive 3D representation of the protein structure and the putative sites using the Jmol java applet. Various downloadable data files are also provided for offline data analysis.
authors.affiliation: Department of Structural and Chemical Biology, Mount Sinai School of Medicine, New York, NY 10029, USA.
authors.forename: Marylens
authors.initials: M
authors.lastname: Hernandez
authors.forename: Dario
authors.initials: D
authors.lastname: Ghersi
authors.forename: Roberto
authors.initials: R
authors.lastname: Sanchez
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D020407:Internet; D008024:Ligands; D011487:Protein Conformation; D012984:Software; D014584:User-Computer Interface
chemical_list: D008024:Ligands