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Prediction of ligand binding sites using homologous structures and conservation at CASP8.

Wass, Mark N., Sternberg, Michael J.E. (2009) Prediction of ligand binding sites using homologous structures and conservation at CASP8. Proteins:Structure, Function, and Genetics, 77 Sup (S9). pp. 147-151. ISSN 0887-3585. (doi:10.1002/prot.22513) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:34182)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1002/prot.22513

Abstract

The critical assessment of protein structure prediction experiment is a blind assessment of the prediction of protein structure and related topics including function prediction. We present our results in the function/binding site prediction category. Our approach to identify binding sites combined the use of the predicted structure of the targets with both residue conservation and the location of ligands bound to homologous structures. We obtained an average coverage of 83% and 56% accuracy. Analysis of our predictions suggests that over-prediction reduces the accuracy obtained due to large areas of conservation around the binding site that do not bind the ligand. In some proteins such conserved residues may have a functional role. A server version of our method will soon be available.

Item Type: Article
DOI/Identification number: 10.1002/prot.22513
Uncontrolled keywords: bioinformatics;binding site;CASP;function prediction;structural biology
Subjects: Q Science
Divisions: Faculties > Sciences > School of Biosciences
Depositing User: Mark Wass
Date Deposited: 06 Jun 2013 13:23 UTC
Last Modified: 29 May 2019 10:16 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/34182 (The current URI for this page, for reference purposes)
Wass, Mark N.: https://orcid.org/0000-0001-5428-6479
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