Current Research in Bioinformatics

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

Dhananjaya P. Singh, Ratna Prabha, Vivek Keshri and P.C. Abhilash

DOI : 10.3844/ajbsp.2016.1.9

Current Research in Bioinformatics

Volume 5, Issue 1

Pages 1-9


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.


© 2016 Dhananjaya P. Singh, Ratna Prabha, Vivek Keshri and P.C. Abhilash. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.