Research Article Open Access

Structure Prediction and Binding Site Analysis of Hepatotoxic Microcystin-LR Degrading MlrC-Like Protein from Burkholderia sp. using Computational Approaches

Dhananjaya P. Singh1, Ratna Prabha1, Vivek Keshri1 and P.C. Abhilash2
  • 1 Indian Council of Agricultural Research, India
  • 2 Banaras Hindu University, India
Current Research in Bioinformatics
Volume 5 No. 1, 2016, 1-9

DOI: https://doi.org/10.3844/ajbsp.2016.1.9

Submitted On: 5 April 2016
Published On: 10 June 2016

How to Cite: Singh, D. P., Prabha, R., Keshri, V. & Abhilash, P. (2016). Structure Prediction and Binding Site Analysis of Hepatotoxic Microcystin-LR Degrading MlrC-Like Protein from Burkholderia sp. using Computational Approaches. Current Research in Bioinformatics, 5(1), 1-9. https://doi.org/10.3844/ajbsp.2016.1.9

Abstract

Microcystin-LR (MCYST-LR) is a well characterized hepatotoxic heptapeptide produced by various species of cyanobacteria including Microcystis aeruginosa. Burkholderia is a genus of bacteria with cyanobacterial toxins degrading property. This study predicts the structure of microcystin degrading MlrC-like protein from Burkholderia sp. strain CCGE1002 that has microcystin degradation capability. Binding interaction of MlrC-like protein with MCYST-LR was studied. Three-dimensional model of MlrC-like protein was generated using composite modeling based I-TASSER server. The model was further assessed through different computational approaches. The generated model was found comparable to experimental structures. MCYST-LR was used for docking with predicted model to investigate ligand-protein interaction. The study provides the structural insight into the binding mode of MlrC-like protein of Burkholderia sp. with MCYST-LR and could be further helpful in designing modeling inhibitors for MCYST-LR.

Download

Keywords

  • Microcystin
  • MCYST-LR
  • Structure Prediction
  • Docking
  • Burkholderia sp