Molecular dynamics study of differential effects of serotonin-2A-receptor (5-HT2AR) modulators
Fig 4
Analysis of side chain conformations of microswitches.
χ1 and χ2 angles of (A) the W3366x48 switch and (B) the F3326x44.(C) Overlap between an “on” tryptophan switch (cyan) with the hallucinogen, an “off” one (orange) with antagonist zotepine and an “alternative” rotamer (purple) with (R)-69. (D) An active and inactive state of the PIF motif with F3326x44 a gauche and anti-like aconformation. (E) Blocked “Trp-switch” with antagonist zotepine.