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Structure of HDCA and its complex with TRAP1 allosteric pocket. (A) Lewis structure of HDCA. (B) HDCA docked into the putative allosteric pockets. The protein residues making important contacts with the ligand are labeled. (C) The surface representation of the pocket, showing how HDCA fits into the allosteric site. Red, negatively charged areas; blue, positively charged areas. HDCA, honokiol bis-dichloroacetate; TRAP1, TNF receptor-associated protein 1.
