Skip to main content
. Author manuscript; available in PMC: 2020 Feb 11.
Published in final edited form as: J Chem Inf Model. 2019 Sep 9;59(9):4007–4017. doi: 10.1021/acs.jcim.9b00605

Figure 4. Possible unbinding pathways of etoposide from human Topoisomerase II.

Figure 4.

Below mode: Etoposide unbinds via the C-gate of TopoII. Center mode: Etoposide unbinds through the dimer intersection. Side mode: Unbinding occurs from the side of the monomer to which the drug molecule is bound. The modes are defined based on the direction of unbinding, relative to the enzyme structure. Color Code: DNA (pink), TopoII (white), Etoposide (blue); Black arrows show the direction of unbinding.