Title
Predicting gene ontology functions from protein's regional surface structures.
Abstract
Background: Annotation of protein functions is an important task in the post-genomic era. Most early approaches for this task exploit only the sequence or global structure information. However, protein surfaces are believed to be crucial to protein functions because they are the main interfaces to facilitate biological interactions. Recently, several databases related to structural surfaces, such as pockets and cavities, have been constructed with a comprehensive library of identified surface structures. For example, CASTp provides identification and measurements of surface accessible pockets as well as interior inaccessible cavities. Results: A novel method was proposed to predict the Gene Ontology (GO) functions of proteins from the pocket similarity network, which is constructed according to the structure similarities of pockets. The statistics of the networks were presented to explore the relationship between the similar pockets and GO functions of proteins. Cross-validation experiments were conducted to evaluate the performance of the proposed method. Results and codes are available at: http:// zhangroup.aporc.org/bioinfo/PSN/. Conclusion: The computational results demonstrate that the proposed method based on the pocket similarity network is effective and efficient for predicting GO functions of proteins in terms of both computational complexity and prediction accuracy. The proposed method revealed strong relationship between small surface patterns (or pockets) and GO functions, which can be further used to identify active sites or functional motifs. The high quality performance of the prediction method together with the statistics also indicates that pockets play essential roles in biological interactions or the GO functions. Moreover, in addition to pockets, the proposed network framework can also be used for adopting other protein spatial surface patterns to predict the protein functions.
Year
DOI
Venue
2007
10.1186/1471-2105-8-475
BMC Bioinformatics
Keywords
Field
DocType
binding sites,cluster analysis,surface structure,microarrays,proteins,predictive value of tests,computational complexity,cross validation,structural similarity,structure activity relationship,proteomics,algorithms,active site,computational biology,bioinformatics
Semantic similarity,Data mining,Global structure,Annotation,Proteomics,Gene ontology,Computer science,Exploit,Bioinformatics
Journal
Volume
Issue
ISSN
8
1
null
Citations 
PageRank 
References 
8
0.63
10
Authors
5
Name
Order
Citations
PageRank
Zhi-Ping Liu11008.99
Ling-yun Wu245626.67
Yong Wang357546.58
Luonan Chen41485145.71
Xiang-Sun Zhang5101677.06