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. 2020 Aug 27;8:865. doi: 10.3389/fcell.2020.00865

FIGURE 5.

FIGURE 5

Interaction between RN486 and human ABCB1 protein. (A) Overview of paclitaxel and the best-scoring pose of RN486 in the drug-binding pocket of ABCB1 protein (6QEX). ABCB1 was displayed as colored tubes and ribbons. RN486 and paclitaxel were displayed as colored sticks. Carbon: blue (RN486) or white (paclitaxel); oxygen: red; nitrogen: blue; fluoride: green. (B) Interactions between RN486 and ABCB1 binding pocket with the protein surface of ABCB1 displayed. (C) Details of interactions between RN486 and ABCB1 binding pocket. Hydrogen bonds were displayed as yellow dash lines. (D) 2D RN486-ABCB1 interaction. Important amino acids were displayed as red arcs, and the green dash line with number indicates hydrogen bond with bond length. Carbon: black; oxygen: red; nitrogen: blue; fluoride: green. (E) Overview of zosuquidar and the best-scoring pose of RN486 in the drug-binding pocket of ABCB1 protein (6QEE). ABCB1 was displayed as colored tubes and ribbons. RN486 and zosuquidar were displayed as colored sticks. Carbon: green (RN486) or white (zosuquidar); oxygen: red; nitrogen: blue; fluoride: light green. (F) Interactions between RN486 and ABCB1 binding pocket with protein surface of ABCB1 displayed. (G) Details of interactions between RN486 and ABCB1 binding pocket. Hydrogen bonds were displayed as yellow dash lines. (H) 2D RN486-ABCB1 interaction. Color codes are same as (D).