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Fig. 5 | BMC Structural Biology

Fig. 5

From: Rosetta Broker for membrane protein structure prediction: concentrative nucleoside transporter 3 and corticotropin-releasing factor receptor 1 test cases

Fig. 5

The left panel: an ensemble of the low energy conformations of the hCNT3 subunit A (grey) extracted from the last 40 ns of the 100 ns MD simulation trajectory superposed on the crystal structure of vcCNT (blue-to-red). The template structure of vcCNT includes uridine (shown in the sticks representation) and sodium ion (a violet sphere). Polar contacts between uridine and vcCNT were shown as yellow dashed lines. The enlarged binding site is shown on the top left. Three helices of hCNT3 were indicated: HP1, TMH7 and TMH9. The right panel: the heavy atom RMSD plot computed for the MD simulation trajectory with respect to the first frame. RMSD was computed for the selected helices (the right top plot) and the binding site residues (the right bottom plot)

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BMC Structural Biology

ISSN: 1472-6807

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