Figure 4.
CRBN open-to-closed transition propensity in MD simulations of WT and deleted structures. (A) Molecular structure of CRBN in open conformation (WT) with C-terminal TBD (red), N-terminal domain (blue), and helical bundle in the middle (purple), PDB: 8CVP with angle between the domains ∼51°. (B) CRBN in closed conformation (also from WT), PDB: 8D81, with the same color scheme for the domains, with an angle of ∼31°. (C) All CRBN and DDB1 complex models. Structures with deletions are made through Homology Modeling in Discovery Studio using PDB 8CVP as template. The WT had an initial angle of 51°, model of combined deletion of exons 8 and 10 model had an initial angle of 47°, and only exon 8–deleted model had an initial angle of 48°. (D) Histogram of the changes in angles between the C and N-terminal domain throughout all the simulations, relative to the open conformation of WT (green), only exon 8–deleted (blue) and combined exon 8 and 10–deleted (red).

CRBN open-to-closed transition propensity in MD simulations of WT and deleted structures. (A) Molecular structure of CRBN in open conformation (WT) with C-terminal TBD (red), N-terminal domain (blue), and helical bundle in the middle (purple), PDB: 8CVP with angle between the domains ∼51°. (B) CRBN in closed conformation (also from WT), PDB: 8D81, with the same color scheme for the domains, with an angle of ∼31°. (C) All CRBN and DDB1 complex models. Structures with deletions are made through Homology Modeling in Discovery Studio using PDB 8CVP as template. The WT had an initial angle of 51°, model of combined deletion of exons 8 and 10 model had an initial angle of 47°, and only exon 8–deleted model had an initial angle of 48°. (D) Histogram of the changes in angles between the C and N-terminal domain throughout all the simulations, relative to the open conformation of WT (green), only exon 8–deleted (blue) and combined exon 8 and 10–deleted (red).

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