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. 2005 Dec 1;21(23):4315-6.
doi: 10.1093/bioinformatics/bti693. Epub 2005 Sep 27.

MACiE: a database of enzyme reaction mechanisms

Gemma L Holliday  1 , Gail J Bartlett, Daniel E Almonacid, Noel M O'Boyle, Peter Murray-Rust, Janet M Thornton, John B O Mitchell
Affiliations

MACiE: a database of enzyme reaction mechanisms

Gemma L Holliday et al. Bioinformatics. .

Abstract

Summary: MACiE (mechanism, annotation and classification in enzymes) is a publicly available web-based database, held in CMLReact (an XML application), that aims to help our understanding of the evolution of enzyme catalytic mechanisms and also to create a classification system which reflects the actual chemical mechanism (catalytic steps) of an enzyme reaction, not only the overall reaction.

Availability: http://www-mitchell.ch.cam.ac.uk/macie/.

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Figures

Fig. 1
Fig. 1
The overall reaction for a β-lactamase.
See this image and copyright information in PMC

References

    1. Bartlett GJ, Porter CT, Borkakoti N, Thornton JM. Analysis of catalytic residues in enzyme active sites. J. Mol. Biol. 2002;324:105–121. - PubMed
    1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE. The Protein Data Bank. Nucl. Acids Res. 2000;28:235–242. - PMC - PubMed
    1. Holliday GL, Mitchell JBO, Murray-Rust P. CMLSnap: Animated reaction mechanisms. Internet J. Chem. 2004;7 Article 4.
    1. Holliday GL, Murray-Rust P, Rzepa HS. J. Chem. Inf. Modeling. 2005 CMLReact, manuscript submitted to. - PubMed
    1. Ingold CK. Structure and Mechanism in Organic Chemistry. 2nd Ed. Cornell University Press; Ithaca, N.Y.: 1969. Chapters 5-15.

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