Mechanism of Iron-Dependent Repressor (IdeR) Activation and DNA Binding: A Molecular Dynamics and Protein Structure Network Study
Fig 5
Structural superposition of the reference and final structure of a) FU-nm and b) FU-m are shown as cartoon representation.
In both cases the reference structures are shown in gray while the final structure obtained at the end of 100 ns simulations are shown in red for FU-nm and blue for FU-m. c) Panel highlights two specific regions in the structure that shows maximum deviation in the non-metallated case. The first column shows variation in the SH3 domain, while the second column represents variation in the DNA binding helix [DBH]. Each row in the panel represents the four monomeric subunits.