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Figure 4.
Interactions at the AR LBD surface. (A–C). BF-3 including
Glu-829, Asn-833, Arg-840, Phe-673, and Tyr-834 is highlighted
by dots and divided into two subpockets that accommodate Triac
and FLF phenolic rings. Basic residues are in blue, and acidic
residues are in red. Shown are close-ups of interactions
with Triac (A) and FLF (B) as yellow stick models. (C)
Superimposed Triac (yellow) plus FLF (dark blue). (D–F) AF-2
lined by Met-734, Lys-720, Glu-897, and Met-894 with subsites
(S1–S3) highlighted by dots. Basic residues are in blue,
acidic residues are in red, and Met is in yellow. D and E show
close-ups of Triac and RB1, respectively. (F) Superimposed Triac
(blue) plus RB1 (orange). Triac interacts with S1 and the area
between S2 and S3 whereas RB1 interacts with S1 and S3.
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