AUTHOR=Hu Xiuzhen , Feng Zhenxing , Zhang Xiaojin , Liu Liu , Wang Shan 

TITLE=The Identification of Metal Ion Ligand-Binding Residues by Adding the Reclassified Relative Solvent Accessibility

JOURNAL=Frontiers in Genetics

VOLUME=Volume 11 - 2020

YEAR=2020

URL=https://www.frontiersin.org/journals/genetics/articles/10.3389/fgene.2020.00214

DOI=10.3389/fgene.2020.00214

ISSN=1664-8021

ABSTRACT=Abstract: Many proteins realize their special functions by binding with specific metal ion ligands in life process of cells. To correctly identify metal ion ligand binding residues is valuable for the human health and the design of molecular drug. However, it is still a challenging work to precisely identify these residues up to now. We presented an improved computational approach for predicting the binding residues of 10 metal ion ligands (Zn , Na + and K + ) by adding reclassified relative solvent accessibility. The best accuracy of 5-fold cross-validation was higher than 77.9%, which was about 16% higher than the previous result on the same dataset. It was found that different reclassification of the relative solvent accessibility information can make different contributions to the identification of specific ligand binding residues. Our study provided an additional understanding of relative solvent accessibility on the identification of metal ion ligand binding residues.