Computational Discovery of an Allosteric Pocket on APOBEC3B and the Impact of Metal Contamination on Inhibitor Validation
Mackenzie K. Wyllie, Katherine F. M. Jones, Özlem Demir, Rahul Dadabhau Kardile, Michael J. Grillo, Clare K. Morris, Brandon B. Schuldt, Farzana Kabir, Sophia P. Hirakis, Walters Michael A., Reuben S. Harris, Rommie E. Amaro, Daniel A. Harki
This study identifies a novel allosteric pocket on APOBEC3B using computational methods but finds that metal contamination in screening samples led to false positive inhibitor results.
bioRxiv · Apr 25, 2024 · PreprintBiochemistry