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International Journal of Computational Bioinformatics and In Silico Modeling
2014: Volume-3 Issue-5
ISSN: 2320-0634

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ABSTRACT   REFERENCES  
International Journal of Computational Bioinformatics and In Silico Modeling 3(5) 2014: 483-490

Structural Modeling and Molecular Dynamics Simulation Studies of Camel Milk Kappa Casein Protein



Abdul Wadood1*, Huma1, Zahid ullah1, Muhammad Riaz1, Sulaiman Shams1, Mehreen Gufran1, Amir Fahira1, Muhammad Naeem1, Sahib Gul1 and Ayaz Ahmad2

1 Computational Medicinal Chemistry Laboratory, Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan-23200, Pakistan.
2 Department of Biotechnology, Abdul Wali Khan University Mardan, Mardan-23200, Pakistan

* Corresponding Author

ABSTRACT

Kappa casein protein belong to phosphoprotein’s casein family which contribute 80% of milk protein comprise of αS1, αS2, β-casein and κ-casein. Kappa casein gene (CNS3) is highly conserved in mammalian species and show variation containing 1997 base pairs. Kappa-casein involved in vital physiological processes. Along with the stabilizing coagulum by interfering with lactation cycle, it has many antimicrobial activities against Escherichia, Helicobacter pylori, Listeria, Salmonella and Staphylococcus, yeast and filamentous fungi. To date the X-ray structure of Kappa casein is not available. The sequence under accession no of P79139 was retrieved from uniprot and 3D structure was built with template ATP-dependent RNA helicase p47 (PDB ID 1XTI.A) showing 43.4% sequence identity using MOE2010.11. The alignment of target and template protein was done using MUSCLE server. The structure was refined by subjecting to MOE-DYNAMIC tool and final structure was used for protein-protein interaction with Helicobacter pylori (data not shown).The consistency of modeled structure was confirmed by getting acceptable scoring from ERRAT and Rampage owing to high accuracy of MOE for modeling and dynamics simulation. Toward the inhibitory activity this modeled structure may unclose the mechanism of eradication of helicobacter pylori from gastric epithelial cell.

 


Copyright © 2014 | AIZEON publishers | All rights reserved

 

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Citation: Abdul Wadood et al. (2014). Structural Modeling and Molecular Dynamics Simulation Studies of Camel Milk Kappa Casein Protein. Int J Comput Bioinfo In Silico Model 3(5): 483-490

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