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. 2015 Mar 24;108(6):1390–1399. doi: 10.1016/j.bpj.2015.02.010

Figure 3.

Figure 3

Energy profile for TM1a and comparison with other LeuT-fold transporters. (A) Energy profile obtained from umbrella sampling along the TM1a-scaffold distance. (Dashed blue line) Distance found in the crystal structure of inward-facing LeuT. (B) Comparison of TM1a positions observed in the simulations and TM1a positions found in crystal structures of the inward-facing state of four LeuT-fold transporters, namely LeuT (PDB: 3TT3 (24)), Mhp1 (PDB: 2X79 (10)), BetP (PDB: 3P03 (25)), and vSGLT (PDB: 2XQ2 (26)). The structures have been aligned using the Cα atoms in TM1b, TM2, TM6, and TM7. To see this figure in color, go online.