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Molecular Dynamics Simulations of the Bacterial UraA H+-Uracil Symporter in Lipid Bilayers Reveal a Closed State and a Selective Interaction with Cardiolipin

Fig. 3

CL binding sites.

Atomistic simulations of UraA in a 75% POPE/ 20% POPG/ 5% CL bilayer. Snapshots from the specific interactions between the CL and UraA are shown for the three CL binding sites (shown in green). The protein is represented as grey ribbons. The positively charged residues that form the main interactions with the CL in each CL binding site are shown in magenta. CL is shown in VDW format. Note that for this Figure we show snapshots with only CL lipids bound in the CL binding sites. As detailed in S4 Fig. and S6 Fig. and the in the text, POPG and POPE molecules to a lesser extent can also associate with the CL binding sites.

Fig. 3