title: sc-PDB: a 3D-database of ligandable binding sites--10 years on.
abstract: The sc-PDB database (available at http://bioinfo-pharma.u-strasbg.fr/scPDB/) is a comprehensive and up-to-date selection of ligandable binding sites of the Protein Data Bank. Sites are defined from complexes between a protein and a pharmacological ligand. The database provides the all-atom description of the protein, its ligand, their binding site and their binding mode. Currently, the sc-PDB archive registers 9283 binding sites from 3678 unique proteins and 5608 unique ligands. The sc-PDB database was publicly launched in 2004 with the aim of providing structure files suitable for computational approaches to drug design, such as docking. During the last 10 years we have improved and standardized the processes for (i) identifying binding sites, (ii) correcting structures, (iii) annotating protein function and ligand properties and (iv) characterizing their binding mode. This paper presents the latest enhancements in the database, specifically pertaining to the representation of molecular interaction and to the similarity between ligand/protein binding patterns. The new website puts emphasis in pictorial analysis of data.
authors.affiliation: Laboratoire d'innovation thérapeutique, Medalis Drug Discovery Center, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.
authors.forename: Jérémy
authors.initials: J
authors.lastname: Desaphy
authors.affiliation: Laboratoire d'innovation thérapeutique, Medalis Drug Discovery Center, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.
authors.forename: Guillaume
authors.initials: G
authors.lastname: Bret
authors.affiliation: Laboratoire d'innovation thérapeutique, Medalis Drug Discovery Center, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.
authors.forename: Didier
authors.initials: D
authors.lastname: Rognan
authors.affiliation: Laboratoire d'innovation thérapeutique, Medalis Drug Discovery Center, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France ekellen@unistra.fr.
authors.forename: Esther
authors.initials: E
authors.lastname: Kellenberger
mesh_terms: D001665:Binding Sites; D030562:Databases, Protein; D015195:Drug Design; D020407:Internet; D008024:Ligands; D004364:Pharmaceutical Preparations / Q000737:chemistry; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D014867:Water / Q000737:chemistry
chemical_list: D008024:Ligands; D004364:Pharmaceutical Preparations; D011506:Proteins; D014867:Water