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Nat Methods. 2014 Feb;11(2):171-4. doi: 10.1038/nmeth.2803. Epub 2014 Jan 12.

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

Author information

1
European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK.
2
1] European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, UK. [2].

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.

PMID:
24412978
PMCID:
PMC4122987
DOI:
10.1038/nmeth.2803
[Indexed for MEDLINE]
Free PMC Article
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