Molecular Dynamics Simulation Reveals Insights into the Mechanism of Unfolding by the A130T/V Mutations within the MID1 Zinc-Binding Bbox1 Domain
Fig 1
Structural properties of the MID1 Bbox1 domain.
(A) The ensemble of 13 structures generated from NMR-derived restraints (PDB code: 2FFW). (B) Magnitude of the fluctuation represented as eigenvectors of the Bbox1 ensemble of structures. The conformational fluctuations indicate both magnitude and directions (arrows) and are derived from PCA analysis. (C) The fluctuations of the average NMR structure are shown as a function of residue number. (D) Zoomed-in snapshot of the small cavity near residue A130. The blue dots represent the solvent accessible surface.