An In-Silico Structural Analysis of the Interactions of SoxY and SoxZ from Moderately Thermophilic Betaproteobacterium, Hydrogenophilus thermoluteolus in the Global Sulfur Oxidation Cycle
Microbial redox reactions are mediated by a diverse set of sulfur-oxidising bacteria. These redox reactions are important to maintain the environmental sulfur balance. The sulfur oxidation reactions are performed by sulfur-oxidizing gene cluster called the sox operon comprising of genes soxEFCDYZAXBH. However, the mechanistic details of sulfur oxidation process by Hydrogenophilus thermoluteolus are yet to be determined. In this study, the three-dimensional structures of SoxY and SoxZ proteins were constructed by homology modeling. Protein-protein docking generated SoxY–Z complex. Responsible amino acid residues for the protein interactions were identified after molecular dynamics simulation of SoxY–Z complex. The best binding mode of thiosulfate with SoxY–Z complex was identified through their molecular docking. Current study thereby, provides a rational frame-work to discern molecular mechanism and biophysical characterization of sulfur-oxidation process.
KeywordsSulfur oxidation Homology modelling Sox operon Protein-protein interaction Molecular docking Molecular dynamics simulation
- Hydrogenophilus thermoluteolus
- Protein interaction calculator
The authors would like to thank the DST-PURSE programme 2012–2015 going on in the Department of Biochemistry and Biophysics, University of Kalyani for providing different instrumental and infrastructural support. Authors are also thankful to the DBT sponsored Bioinformatics Infrastructure Facility in the Department of Biochemistry and Biophysics, University of Kalyani for the necessary support.
Conflict of Interest
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