Prediction of zinc binding sites in proteins using sequence derived information

被引:18
作者
Srivastava, Abhishikha [1 ]
Kumar, Manish [1 ]
机构
[1] Univ Delhi South Campus, Dept Biophys, Benito Juarez Rd, New Delhi 110021, India
关键词
zinc metal binding site; machine learning; support vector machine; PSSM; fivefold cross-validation; SUPPORT VECTOR MACHINE; SECONDARY STRUCTURE PREDICTION; FUNCTIONAL DOMAIN COMPOSITION; WEB SERVER; STRUCTURAL CLASS; BETA-LACTAMASE; SVM; CLASSIFICATION; RECOGNITION; ALGORITHM;
D O I
10.1080/07391102.2017.1417910
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Zinc is one the most abundant catalytic cofactor and also an important structural component of a large number of metallo-proteins. Hence prediction of zinc metal binding sites in proteins can be a significant step in annotation of molecular function of a large number of proteins. Majority of existing methods for zinc-binding site predictions are based on a data-set of proteins, which has been compiled nearly a decade ago. Hence there is a need to develop zinc-binding site prediction system using the current updated data to include recently added proteins. Herein, we propose a support vector machine-based method, named as ZincBinder, for prediction of zinc metal-binding site in a protein using sequence profile information. The predictor was trained using fivefold cross validation approach and achieved 85.37% sensitivity with 86.20% specificity during training. Benchmarking on an independent non-redundant data-set, which was not used during training, showed better performance of ZincBinder vis-a-vis existing methods. Executable versions, source code, sample datasets, and usage instructions are available at
引用
收藏
页码:4413 / 4423
页数:11
相关论文
共 69 条
[1]   Gapped BLAST and PSI-BLAST: a new generation of protein database search programs [J].
Altschul, SF ;
Madden, TL ;
Schaffer, AA ;
Zhang, JH ;
Zhang, Z ;
Miller, W ;
Lipman, DJ .
NUCLEIC ACIDS RESEARCH, 1997, 25 (17) :3389-3402
[2]   MetalPDB: a database of metal sites in biological macromolecular structures [J].
Andreini, Claudia ;
Cavallaro, Gabriele ;
Lorenzini, Serena ;
Rosato, Antonio .
NUCLEIC ACIDS RESEARCH, 2013, 41 (D1) :D312-D319
[3]   Zinc coordination sphere in biochemical zinc sites [J].
Auld, DS .
BIOMETALS, 2001, 14 (3-4) :271-313
[4]   Prediction of transition metal-binding sites from apo protein structures [J].
Babor, Mariana ;
Gerzon, Sergey ;
Raveh, Barak ;
Sobolev, Vladimir ;
Edelman, Marvin .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 70 (01) :208-217
[5]   Statistics review 13: Receiver operating characteristic curves [J].
Bewick, V ;
Cheek, L ;
Ball, J .
CRITICAL CARE, 2004, 8 (06) :508-512
[6]   Predicting protein-protein interactions from primary structure [J].
Bock, JR ;
Gough, DA .
BIOINFORMATICS, 2001, 17 (05) :455-460
[7]   Predicting small ligand binding sites in proteins using backbone structure [J].
Bordner, Andrew J. .
BIOINFORMATICS, 2008, 24 (24) :2865-2871
[8]   Nearest neighbour algorithm for predicting protein subcellular location by combining functional domain composition and pseudo-amino acid composition [J].
Cai, YD ;
Chou, KC .
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2003, 305 (02) :407-411
[9]   Prediction of protein structural class using novel evolutionary collocation-based sequence representation [J].
Chen, Ke ;
Kurgan, Lukasz A. ;
Ruan, Jishou .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (10) :1596-1604
[10]   ZincExplorer: an accurate hybrid method to improve the prediction of zinc-binding sites from protein sequences [J].
Chen, Zhen ;
Wang, Yanying ;
Zhai, Ya-Feng ;
Song, Jiangning ;
Zhang, Ziding .
MOLECULAR BIOSYSTEMS, 2013, 9 (09) :2213-2222