title: PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank.
abstract: Well defined biomacromolecular patterns such as binding sites, catalytic sites, specific protein or nucleic acid sequences, etc. precisely modulate many important biological phenomena. We introduce PatternQuery, a web-based application designed for detection and fast extraction of such patterns. The application uses a unique query language with Python-like syntax to define the patterns that will be extracted from datasets provided by the user, or from the entire Protein Data Bank (PDB). Moreover, the database-wide search can be restricted using a variety of criteria, such as PDB ID, resolution, and organism of origin, to provide only relevant data. The extraction generally takes a few seconds for several hundreds of entries, up to approximately one hour for the whole PDB. The detected patterns are made available for download to enable further processing, as well as presented in a clear tabular and graphical form directly in the browser. The unique design of the language and the provided service could pave the way towards novel PDB-wide analyses, which were either difficult or unfeasible in the past. The application is available free of charge at http://ncbr.muni.cz/PatternQuery.
authors.affiliation: CEITEC - Central European Institute of Technology, Masaryk University Brno, Kamenice 5, 625 00 Brno, Czech Republic National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno, Czech Republic Faculty of Informatics, Masaryk University Brno, Botanická 68a, 602 00 Brno, Czech Republic.
authors.forename: David
authors.initials: D
authors.lastname: Sehnal
authors.affiliation: CEITEC - Central European Institute of Technology, Masaryk University Brno, Kamenice 5, 625 00 Brno, Czech Republic National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno, Czech Republic.
authors.forename: Lukáš
authors.initials: L
authors.lastname: Pravda
authors.affiliation: CEITEC - Central European Institute of Technology, Masaryk University Brno, Kamenice 5, 625 00 Brno, Czech Republic National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno, Czech Republic.
authors.forename: Radka
authors.initials: R
authors.lastname: Svobodová Vařeková
authors.affiliation: CEITEC - Central European Institute of Technology, Masaryk University Brno, Kamenice 5, 625 00 Brno, Czech Republic.
authors.forename: Crina-Maria
authors.initials: CM
authors.lastname: Ionescu
authors.affiliation: CEITEC - Central European Institute of Technology, Masaryk University Brno, Kamenice 5, 625 00 Brno, Czech Republic National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno, Czech Republic Jaroslav.Koca@ceitec.muni.cz.
authors.forename: Jaroslav
authors.initials: J
authors.lastname: Koča
mesh_terms: D001665:Binding Sites; D030562:Databases, Protein; D020407:Internet; D037102:Lectins / Q000737:chemistry; D046911:Macromolecular Substances / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D011487:Protein Conformation; D012984:Software; D016335:Zinc Fingers
chemical_list: C534600:LecB protein, Pseudomonas aeruginosa; D037102:Lectins; D046911:Macromolecular Substances