General Information
| Description | A structure-based algorithm for discriminating different types of metal-binding sites |
| Homepage | http://staff.ustc.edu.cn/~liangzhi/mfasd/ |
Publications
mFASD: a structure-based algorithm for discriminating different types of metal-binding sites
Motivation:
A large number of proteins contain metal ions that are essential for their stability and biological activity. Identifying and characterizing metal-binding sites through computational methods is necessary when experimental clues are lacking. Almost all published computational methods are designed to distinguish metal-binding sites from non-metal-binding sites. However, discrimination between different types of metal-binding sites is also needed to make more accurate predictions.
Results:
In this work, we proposed a novel algorithm called mFASD, which could discriminate different types of metal-binding sites effectively based on 3D structure data and is useful for accurate metal-binding site prediction. mFASD captures the characteristics of a metal-binding site by investigating the local chemical environment of a set of functional atoms that are considered to be in contact with the bound metal. Then a distance measure defined on functional atom sets enables the comparison between different metal-binding sites. The algorithm could discriminate most types of metal-binding sites from each other with high sensitivity and accuracy. We showed that cascading our method with existing ones could achieve a substantial improvement of the accuracy for metal-binding site prediction.
Availability and implementation:
Source code and data used are freely available from http://staff.ustc.edu.cn/∼liangzhi/mfasd/
Contact:
liangzhi@ustc.edu.cn or hwkobe@mail.ustc.edu.cn
Supplementary information:
Supplementary data are available at Bioinformatics online.
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