title: EC-BLAST: a tool to automatically search and compare enzyme reactions.
abstract: We present EC-BLAST (http://www.ebi.ac.uk/thornton-srv/software/rbl/), an algorithm and Web tool for quantitative similarity searches between enzyme reactions at three levels: bond change, reaction center and reaction structure similarity. It uses bond changes and reaction patterns for all known biochemical reactions derived from atom-atom mapping across each reaction. EC-BLAST has the potential to improve enzyme classification, identify previously uncharacterized or new biochemical transformations, improve the assignment of enzyme function to sequences, and assist in enzyme engineering.
authors.affiliation: European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK.
authors.forename: Syed Asad
authors.initials: SA
authors.lastname: Rahman
authors.affiliation: European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK.
authors.forename: Sergio Martinez
authors.initials: SM
authors.lastname: Cuesta
authors.affiliation: 1] European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK. [2].
authors.forename: Nicholas
authors.initials: N
authors.lastname: Furnham
authors.affiliation: 1] European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK. [2].
authors.forename: Gemma L
authors.initials: GL
authors.lastname: Holliday
authors.affiliation: European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK.
authors.forename: Janet M
authors.initials: JM
authors.lastname: Thornton
mesh_terms: D000465:Algorithms; D000818:Animals; D001669:Biochemical Phenomena; D002384:Catalysis; D030562:Databases, Protein; D004798:Enzymes / Q000737:chemistry* / Q000145:classification / Q000378:metabolism*; D006801:Humans; D020407:Internet; D012984:Software
chemical_list: D004798:Enzymes