EC-BLAST: a tool to automatically search and compare enzyme reactions.

Rahman, Syed Asad; Cuesta, Sergio Martinez; Furnham, Nicholas; Holliday, Gemma L; Thornton, Janet M · Nat Methods · 2014

basic_science · Level V

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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.

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