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. 2023 Jul 1;15(13):3459. doi: 10.3390/cancers15133459

Figure 7.

Figure 7

MD simulations of the WT and TMH4,10-14A mutant P-gps. Selected nodes of hierarchical Motion Tree analyses highlight distinct patterns of fluctuations in the helical transmembrane region. Within each panel, the dual colors distinguish the two “rigid” domains of the protein that move independently. Domains containing TMH4 are colored green, TMH10 cyan, and the remaining domains purple. (A) WT protein showing the independent movement of TMH4 (bold green) as compared to movement of proximal TMHs 5 and 6 (transparent purple). (B) WT protein showing independent movement of TMH10 and ICH4 (bold cyan) from the rest of the TM region. (C) TMH4,10-14A mutant protein showing independent, hinge-like motion of the two halves of the TM domain (green and cyan). Helices are shown as ribbons, and the approximate location of the membrane is indicated by a grey rectangle.