Login

Journal Image
Current Protein & Peptide Science
ISSN (Print): 1389-2037
ISSN (Online): 1875-5550
VOLUME: 12
ISSUE: 6
DOI: 10.2174/138920311796957685      Price:  $58









Computational Methods for Identification of Functional Residues in Protein Structures

img
Author(s): Fuxiao Xin and Predrag Radivojac
Pages 456-469 (14)
Abstract:
The recent accumulation of experimentally determined protein 3D structures combined with our ability to computationally model structure from amino acid sequence has resulted in an increased importance of structure-based methods for protein function prediction. Two types of methods for function prediction have been proposed: those that can accurately predict overall biochemical or biological roles of a protein and those that predict its functional residues. Here, we review approaches used for the computational identification of functional residues in protein structures and summarize their applications to a wide variety of problems in functional proteomics, such as the prediction of catalytic residues, posttranslational modifications, or nucleic acid-binding sites. We examine four different problems in order to perform a comparison between several recently proposed methods and, finally, conclude by identifying limitations and future challenges in this field.
Keywords:
Comparative evaluation, functional residue prediction, functional site prediction, protein function prediction, protein structure, structure-based protein function prediction, computational prediction, biochemical, DNA-binding protein, computationally aided protein engineering
Affiliation:
School of Informatics and Computing, Indiana University, 901 E. 10th Street, Bloomington, IN 47408, USA.