Fig. 4 | Scientific Reports

Fig. 4

From: Novel, soluble 3-heteroaryl-substituted tanshinone mimics attenuate the inflammatory response in murine macrophages

Fig. 4

Molecular dynamics calculation of HuR-5/TM11 interactions. (A) Schematic representation of the HuR-5/TM11 complex from MD simulation. 5/TM11 is shown in orange sticks, HuR RRM1-RRM2 domains shown in light blue cartoon representation. HuR residues involved in specific interaction with 5/TM11 and inter-domain interactions are highlighted as turquoise or ochre sticks, respectively. Hydrogens are hidden for clarity. (B) Heavy atoms RMSD along MD simulation of HuR-5/TM11 complex. Prior to RMSD calculations, trajectory was aligned on the Cα of the secondary structural elements with respect to the initial MD frame. (C) RRM1–RRM2 centre of mass distance along MD simulation of HuR-5/TM11 complex. Hydrogens were not included in the centre of mass calculation.

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