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. 2010 Jan 5;1(3):223–233. doi: 10.1021/cn900032u

Figure 8.

Figure 8

MI-4 docking in the DAT model. Optimal positioning of MI-4 in the DAT vestibular pocket is depicted by the top-ranked pose generated by MOE-Dock 2007. For reference, the primary substrate/inhibitor pocket (below the vestibular pocket) is indicated by superpositions of docked dopamine (green) and the analogous position of leucine (orange, sticks) in LeuT. DAT vestibular pocket side chains (atom colored) within 5 Å of the docked MI-4 molecule (yellow/atom colored) are shown. Intermolecular H-bond interactions are indicated (pink dashed lines).