title: SVMCRYS: an SVM approach for the prediction of protein crystallization propensity from protein sequence.
abstract: X-ray crystallography is the most widely used method for protein 3-dimensional structure determination. Selection of target protein that can yield high quality crystal for X-ray crystallography is a challenging task. Prediction of protein crystallization propensity from sequence information is useful for the selection of target protein for crystallization. Recently, support vector machines have been widely used to solve various biological problems. In this work, we present a SVMCRYS method which use support vector machine to classify protein sequence into 'amenable to crystallization' and 'resistant to crystallization'. SVMCRYS was trained on a dataset containing 728 sequences that gave diffraction quality crystal and 728 sequences where work had been stopped before obtaining crystal. The performance of SVMCRYS method was compared with other sequence-based crystallization prediction methods such as SECRET, CRYSTALP, OB-Score, ParCrys and XtalPred using three different datasets. SVMCRYS achieved better prediction rate with higher sensitivity and specificity. Our analysis suggests that SVMCRYS can be used to predict proteins which are amenable to crystallization and proteins which are difficult for crystallization. The SVMCRYS software, dataset and feature set can be obtained from http://www3.ntu.edu.sg/home/EPNSugan/index_files/svmcrys.htm.
authors.affiliation: Institute for Neuro- and Bioinformatics, University of Lübeck, 23538 Lübeck, Germany. EPNSugan@ntu.edu.sg
authors.forename: Krishna Kumar
authors.initials: KK
authors.lastname: Kandaswamy
authors.forename: Ganesan
authors.initials: G
authors.lastname: Pugalenthi
authors.forename: P N
authors.initials: PN
authors.lastname: Suganthan
authors.forename: Rajeev
authors.initials: R
authors.lastname: Gangal
mesh_terms: D000465:Algorithms; D000595:Amino Acid Sequence; D001185:Artificial Intelligence; D018360:Crystallography, X-Ray / Q000379:methods*; D030562:Databases, Protein; D019906:Nuclear Magnetic Resonance, Biomolecular; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D012372:ROC Curve; D015203:Reproducibility of Results; D013329:Structure-Activity Relationship
chemical_list: D011506:Proteins