The sixth CACHE challenge is focused on SETDB1, a multi domain protein involved in epigenetic mechanisms and an immuno-oncology target. Participants are asked to find molecules occupying one or multiple subcavities of the histone binding groove of the SETDB1 triple Tudor domain (TTD). A few ligands (PDB codes 7CJT, 8UWP, 6AU3) occupy one or two of three subcavities that accommodate methylated or acetylated lysine sidechains, as shown in this structure overview.
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