Automated prediction of protein function and detection of functional sites from structure.

Abstract:

:Current structural genomics projects are yielding structures for proteins whose functions are unknown. Accordingly, there is a pressing requirement for computational methods for function prediction. Here we present PHUNCTIONER, an automatic method for structure-based function prediction using automatically extracted functional sites (residues associated to functions). The method relates proteins with the same function through structural alignments and extracts 3D profiles of conserved residues. Functional features to train the method are extracted from the Gene Ontology (GO) database. The method extracts these features from the entire GO hierarchy and hence is applicable across the whole range of function specificity. 3D profiles associated with 121 GO annotations were extracted. We tested the power of the method both for the prediction of function and for the extraction of functional sites. The success of function prediction by our method was compared with the standard homology-based method. In the zone of low sequence similarity (approximately 15%), our method assigns the correct GO annotation in 90% of the protein structures considered, approximately 20% higher than inheritance of function from the closest homologue.

authors

Pazos F,Sternberg MJ

doi

10.1073/pnas.0404569101

keywords:

subject

Has Abstract

pub_date

2004-10-12 00:00:00

pages

14754-9

issue

41

eissn

0027-8424

issn

1091-6490

pii

0404569101

journal_volume

101

pub_type

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