SitesIdentify: a protein functional site prediction tool

<p>Abstract</p> <p>Background</p> <p>The rate of protein structures being deposited in the Protein Data Bank surpasses the capacity to experimentally characterise them and therefore computational methods to analyse these structures have become increasingly important. Id...

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Main Authors: Doig Andrew J, Greaves Richard, Bougouffa Salim, Chan Pedro, Bray Tracey, Warwicker Jim
Format: Article
Language:English
Published: BMC 2009-11-01
Series:BMC Bioinformatics
Online Access:http://www.biomedcentral.com/1471-2105/10/379
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author Doig Andrew J
Greaves Richard
Bougouffa Salim
Chan Pedro
Bray Tracey
Warwicker Jim
author_facet Doig Andrew J
Greaves Richard
Bougouffa Salim
Chan Pedro
Bray Tracey
Warwicker Jim
author_sort Doig Andrew J
collection DOAJ
description <p>Abstract</p> <p>Background</p> <p>The rate of protein structures being deposited in the Protein Data Bank surpasses the capacity to experimentally characterise them and therefore computational methods to analyse these structures have become increasingly important. Identifying the region of the protein most likely to be involved in function is useful in order to gain information about its potential role. There are many available approaches to predict functional site, but many are not made available via a publicly-accessible application.</p> <p>Results</p> <p>Here we present a functional site prediction tool (SitesIdentify), based on combining sequence conservation information with geometry-based cleft identification, that is freely available via a web-server. We have shown that SitesIdentify compares favourably to other functional site prediction tools in a comparison of seven methods on a non-redundant set of 237 enzymes with annotated active sites.</p> <p>Conclusion</p> <p>SitesIdentify is able to produce comparable accuracy in predicting functional sites to its closest available counterpart, but in addition achieves improved accuracy for proteins with few characterised homologues. SitesIdentify is available via a webserver at <url>http://www.manchester.ac.uk/bioinformatics/sitesidentify/</url></p>
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spelling doaj.art-156ec3fdf080438f89c2b1a46ac0b7a92022-12-22T01:09:05ZengBMCBMC Bioinformatics1471-21052009-11-0110137910.1186/1471-2105-10-379SitesIdentify: a protein functional site prediction toolDoig Andrew JGreaves RichardBougouffa SalimChan PedroBray TraceyWarwicker Jim<p>Abstract</p> <p>Background</p> <p>The rate of protein structures being deposited in the Protein Data Bank surpasses the capacity to experimentally characterise them and therefore computational methods to analyse these structures have become increasingly important. Identifying the region of the protein most likely to be involved in function is useful in order to gain information about its potential role. There are many available approaches to predict functional site, but many are not made available via a publicly-accessible application.</p> <p>Results</p> <p>Here we present a functional site prediction tool (SitesIdentify), based on combining sequence conservation information with geometry-based cleft identification, that is freely available via a web-server. We have shown that SitesIdentify compares favourably to other functional site prediction tools in a comparison of seven methods on a non-redundant set of 237 enzymes with annotated active sites.</p> <p>Conclusion</p> <p>SitesIdentify is able to produce comparable accuracy in predicting functional sites to its closest available counterpart, but in addition achieves improved accuracy for proteins with few characterised homologues. SitesIdentify is available via a webserver at <url>http://www.manchester.ac.uk/bioinformatics/sitesidentify/</url></p>http://www.biomedcentral.com/1471-2105/10/379
spellingShingle Doig Andrew J
Greaves Richard
Bougouffa Salim
Chan Pedro
Bray Tracey
Warwicker Jim
SitesIdentify: a protein functional site prediction tool
BMC Bioinformatics
title SitesIdentify: a protein functional site prediction tool
title_full SitesIdentify: a protein functional site prediction tool
title_fullStr SitesIdentify: a protein functional site prediction tool
title_full_unstemmed SitesIdentify: a protein functional site prediction tool
title_short SitesIdentify: a protein functional site prediction tool
title_sort sitesidentify a protein functional site prediction tool
url http://www.biomedcentral.com/1471-2105/10/379
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AT greavesrichard sitesidentifyaproteinfunctionalsitepredictiontool
AT bougouffasalim sitesidentifyaproteinfunctionalsitepredictiontool
AT chanpedro sitesidentifyaproteinfunctionalsitepredictiontool
AT braytracey sitesidentifyaproteinfunctionalsitepredictiontool
AT warwickerjim sitesidentifyaproteinfunctionalsitepredictiontool