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 9.

Figure 9.

Region of human TopoII (Hs TopoIIα, blue) containing Ser800 and the corresponding domain in E. coli gyrase (EcGyrA, green) (corresponding to Ser800 in human TopoIIα and Ser116 in E.coli) is represented in licorice. This serine residue, located along these structure motifs, forms transient H-bond interaction during our smoothed potential MD unbinding trajectories. A short sequence alignment of human TopoIIα and EcGyrA is also reported to indicate the conservation of this serine residue.