Fig. 6: TAG transfer into LprG in the MD simulations of the MHAS2168OUT-LprG complex. | Nature Communications

Fig. 6: TAG transfer into LprG in the MD simulations of the MHAS2168OUT-LprG complex.

From: Structural basis for triacylglyceride extraction from mycobacterial inner membrane by MFS transporter Rv1410

Fig. 6

a For each of the five simulations (numbered 1–5), the upper line depicts the z-coordinate of the center of mass of the TAG molecule. The cyan lines below correspond to the z-coordinate of the average center of mass of the phosphate groups of the upper membrane leaflet. The gold line is the equilibration phase (see methods). The models of the MHAS2168OUT-LprG complex shown in the top panel indicate the position of the TAG (orange shade). b Visualization of TAG transfer from the transporter’s main cavity (stage 1) along the TM11-TM12 extension into the LprG hydrophobic cavity (stage 2). Note that the overlay of structures shown displays the position of one single TAG molecule at two different points in time during the MD simulation. c TAG contacts with MHAS2168OUT-LprG, coloured from blue (no contacts) to red (large number of contacts).

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