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. Author manuscript; available in PMC: 2016 Dec 27.
Published in final edited form as: J Am Chem Soc. 2016 May 18;138(21):6754–6764. doi: 10.1021/jacs.6b00360

Figure 6.

Figure 6

Docking of (-)-mitragynine and other analogs to the active µ-opioid receptor crystal structure. Top-scoring binding poses of (A) (-)-mitragynine, (B) (Z)-mitragynine, (C) 7-hydroxmitragynine, and (D) antagonists paynantheine (pink) and speciogynine (cyan). Only residue sidechains within 4 Å of the ligand are reported. Polar interactions are shown as dotted lines. TM helices are shown in cartoon representation (in gray). ECL2 and part of TM5 have been omitted for clarity. Residues are labeled using one-letter amino acid code and Ballesteros and Weinstein’s generic numbering scheme.