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. 2011 Sep 15;6(9):e23679. doi: 10.1371/journal.pone.0023679

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This is an open-access article distributed under the terms of the Creative Commons Public Domain declaration, which stipulates that, once placed in the public domain, this work may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose.

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A: lucanthone (magenta sticks) binds in the hydrophobic pocket of Ape1, represented by its solvent accessible surface. Ape1 interacts with lucanthone mainly via apolar contacts with W280, pi-stacking with F266, and M270. Additionally, a hydrogen bond forms between the carbonyl oxygen and T268. B) Hycanthone (magenta sticks) binds in the DNA groove/hydrophobic pocket of APE1. In addition to apolar contacts and pi-stacking with F266, it forms a hydrogen bond with His309 and coordinates with the APE1-bound magnesium cation (represented as gray sphere).