In silico prediction and characterization of three-dimensional structure of actin-1 of Arabidopsis thaliana

• Autorzy: Sahu M. , Dehury B. , Sarmah R. , Sahoo S. , Sahu J. , Sarma K. , Sen P. , Modi M. K. , Barooah M.
• Języki publikacji: EN

Abstrakty

EN

Actin-1 is a ubiquitous protein belonging to the reproductive class of Actin family in Arabidopsis thaliana . This protein is involved in the formation of filaments that are major components of the cytoskeleton. Despite the importance of this protein, very little information is available regarding its structure and function in plants. In this study, analysis of the protein sequence was done and comparative model of Actin-1 was constructed (UNIPROT ID: P0CJ46) from Arabidopsis thaliana using the crystal structure of Dictyostelium discoideum actin (PDB ID: 1NLV-A) as template employing Modeller version 9.9. The stable structure was generated by 5 nanosecond molecular dynamics simulation steps using GROMOS43A1 96 force field that characterized its structural and dynamic feature. The biochemical function of the final simulated structure was also investigated using PROFUNC. The molecular simulation study suggested that the modeled Actin-1 protein retain its stable conformation in aqueous solution. The predicted binding sites in the modeled Actin-1 protein are very informative for further protein-ligand interaction study.

Słowa kluczowe

EN

actin-1; protein sequence; Arabidopsis thaliana; comparative modelling; three-dimensional structure; molecular dynamics simulation

• Wydawca: -
• Czasopismo: BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology
• Rocznik: 2013
• Tom: 94
• Numer: 4
• Opis fizyczny: p.432-443,fig.,ref.

Twórcy

autor

Sahu M.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Dehury B.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Sarmah R.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Sahoo S.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Sahu J.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Sarma K.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Sen P.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Modi M. K.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

autor

Barooah M.

• Department of Agricultural Biotechnology, Assam Agricultural University, Assam, India

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