Improved Prediction of Protein Crystallization, Purification and Production Propensity Using Hybrid Sequence Representation

Author(s): Jianzhao Gao , Gang Hu , Zhonghua Wu , Jishou Ruan , Shiyi Shen , Michelle Hanlon , Kui Wang .

Journal Name: Current Bioinformatics

Volume 9 , Issue 1 , 2014

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Production of high-quality crystals is one of the main bottlenecks in X-ray crystallography-based protein structure determination. In this paper we introduce PPCinter, a novel method to predict the propensity for production of diffraction-quality crystals, production of crystals, purification and production of protein material.

PPCinter utilizes not only intra-molecular factors, but considers inter-molecular factors as well. Our method outperforms several current crystallization predictors, obtaining an overall accuracy of 57.5% and an average MCC of 0.39. Our method also reveals several factors that influence the success of the crystallization process, including the unfold-based index, energy-based, solvent accessibility, and hydrophobicity-based indices, amino acid composition, the isoelectric point and disorder-based features.

The proposed method, PPCinter, could provide useful input for the target selection procedures utilized by structural genomics centers.

Keywords: Protein crystallization, protein purification, X-ray crystallography.

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Article Details

Year: 2014
Page: [57 - 64]
Pages: 8
DOI: 10.2174/15748936113080990006

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