Fig. 6
From: L amino acid transporter structure and molecular bases for the asymmetry of substrate interaction
Model for BasC substrate release to the cytoplasm. a 2-AIB (orange) bound BasC structure (PDB ID: 6F2W). Interactions of Lys 154 in TM5 with Gly 15 in TM1a and Tyr 236 in TM7 with Ala 200 in TM6 are shown. b Molecular dynamics analysis shows interaction of 2-AIB with the amino group of Lys 154 and the (O) backbone atom of Thr 16 in TM1a in the way of the substrate to the cytosol (snapshot extracted at 435 ns from the blue trajectory shown in Supplementary Fig. 7). c In the BasC apo structure (PDB ID: 6F2G), Gly 19 in the unwound region of TM1 approaches Tyr 236 at hydrogen bond distance. Lys 154-Gly 15 interaction is maintained all along the MD analysis and in both apo and holo structures
