Fig. 3: Ligand binding characteristics of AHR PAS-B domain.
From: Structural basis for the ligand-dependent activation of heterodimeric AHR-ARNT complex
a Chemical structure of AHR agonists, including Tapinarof, FICZ, BaP, BNF, Indigo, and Indirubin. b Superimposition of six AHR-ARNT-DNA complex structures respectively bound with Tapinarof, FICZ, BaP, BNF, Indigo, and Indirubin. c–h, Interactions between Tapinarof (c), FICZ (d), BaP (e), BNF (f), Indigo (g), and Indirubin (h) with surrounding AHR residues within the pocket, analyzed by the Ligplus+ program78. i A summarized diagram showing the residues of the AHR PAS-B domain directly interacting with each of the six ligands. Residues forming hydrophobic and van der Waals interactions are colored in green, and those forming hydrogen bonds are colored in magenta. j The spatial distribution of eight AHR residues involved in direct interactions with all six ligands are shown in two views.
