STRUCTURAL ANALYSIS AND MOLECULAR DYNAMICS STUDY OF PHB SYNTHASE
Journal Title: International Research Journal of Pharmacy (IRJP) - Year 2012, Vol 3, Issue 2
Abstract
Polyhydroxybutyrate (PHB) is a polyhydroxyalkanoate (PHA), a polymer belonging to polyesters class and is composed of hydroxy fatty acids. PHB is produced by microorganisms apparently in response to conditions of physiological stress. PHB synthases are the key enzymes of PHB biosynthesis. The PHB synthases obtained from Chromobacterium violaceum, belongs to the class I PHA synthases. Due to the limited structural information of PHB synthase, its functional properties including catalysis are unknown. Therefore, this study seeks to investigate the structural and functional properties of PHB synthase (phaC) by predicting its three dimensional structure using bioinformatics methods. Present 15 ns molecular dynamics study provides an overall insight about some of the parameters such as energy, RMSD (Root Mean Square Deviation), SASA (Solvent Accessible Surface Area), hydrogen bonds, etc., Protein-protein docking reveals the binding mode of the protein in the active dimer state.
Authors and Affiliations
Femlin Blessia, Jeya Sundara Sharmila, Mohd Samian, Arsad Hasni , Fifyana Nur
Keywords
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