Fig 6. Computational docking of neurosteroid photolabeling analogues to their photolabeling sites on α₁β₃-GABA_A receptors.

(A) KK200 (light green) and (B) KK123 (pink) in α₁ intrasubunit site. (C) KK123 and (D) KK202 (light blue) in β₃ intrasubunit site. (E) KK200 and (F) KK202 in β₃ (+)/-α₁(−) intersubunit site. The KK123 photolabeled residues α₁-Y⁴¹⁵ and β₃-Y⁴⁴² are colored red, the KK200 photolabeled residues α₁-N⁴⁰⁸ and β₃-G³⁰⁸ are colored green, and the KK202 β₃-²⁷⁸VKA²⁸⁰ and L²⁹⁴ are colored blue. The canonical neurosteroid binding site residues Q²⁴², F³⁰¹, and the new mutation site V²²⁷ are colored yellow. The photolabeling diazirine group is indicated with red “*”. GABA_A, gamma amino-butyric acid Type A.