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In silico Protein Structural Modeling and Active binding site Evaluation of Streptococcus pneumoniae

M. Balakrishnan¹, R.C. Srivastava² & M. Ramachandran¹

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1. Bioinformatics Centre, Central Agricultural Research Institute, Port Blair, India
2. Central Agricultural Research Institute, Port Blair, India

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Document Type:

Manuscript

Date:

Received 30 April 2009 11:55 UTC; Posted 06 May 2009

Subjects:

Molecular Cell Biology, Bioinformatics

Tags:

• proteins
• homology modeling
• glucose kinase
• enzyme
• Streptococcus
• binding

Abstract:

Structure function relation of glucose kinese in Streptococcus pneumoniae. However, a solved structure for Streptococcus pneumoniae glucose kinese is not available at the protein data bank. Glucose kinase is a regulatory enzyme capable of adding phosphate group to glucose in the first step of streptomycin biosynthesis. The activity of glucose kinase was regulated by the Carbon Catabolite Repression system. So, we created a model of glucose kinese from Streptococcus pnemoniae using the X-ray crystallography structure of glucose kinese enzymes from Enterobacteria faecalis as template with Molsoft ICM v3.5 software. The model was validated using protein structure checking tools such as PROCHECK, WHAT IF: for reliability. The active site amino acid "Asp114" in the template is retained in S. pneumoniae Glucose kinese model "Asp115". Solvent accessible surface area analysis of the glucose kinese model showed that known key residues playing important role in active site for ligand binding and metal ion binding are buried and hence not accessible to solvent. The information thus discussed provides insight to the molecular understanding of Streptococcus pneumoniae in glucose kinase.

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This document is licensed to the public under the Creative Commons Attribution 3.0 License

How to cite this document:

Balakrishnan, M., Srivastava, R.C., and Ramachandran, M.. In silico Protein Structural Modeling and Active binding site Evaluation of Streptococcus pneumoniae. Available from Nature Precedings <http://hdl.handle.net/10101/npre.2009.3207.1> (2009)

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