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Residue interactions of DAT with dopamine (A) and cocaine (B) at the primary (S1) pocket. Coordinates of dopamine and cocaine in S1 of DAT were extracted from trajectory frames corresponding to the local minima present at stopover site E which corresponds to the S1 site. The apparent lack of residue interactions with cocaine at S1 suggests that cocaine does not favorably bind at the same pocket as dopamine in DAT. 2D interaction maps were generated using MOE 2009.10.
