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(A) The simulated TS1 structure associated with the A199S/A328W/Y332G mutant. The dashed lines in blue indicate the hydrogen bonds between (−)-cocaine and the oxyanion hole of the mutant. (B) The simulated TS1 structure associated with the A199S/F227A/A328W/Y332G mutant. (C) Superimposition of the two TS1 structures associated with the A199S/A328W/Y332G (green) and A199S/F227A/A328W/Y332G mutants (blue).
