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. Author manuscript; available in PMC: 2014 Nov 15.
Published in final edited form as: ACS Chem Biol. 2013 Sep 10;8(11):10.1021/cb4003283. doi: 10.1021/cb4003283

Figure 2. Binding modes of dinaciclib, JQ1, and IBET-151 in bromodomains.

Figure 2

The hinge binding scaffold of dinaciclib interacts with two water molecules of the ZA channel (a). While JQ1 is not capable of forming hydrogen bonds with the ZA channel in BRDT (b, PDB entry 4FLP), the quinoline ring of IBET-151 interacts with one water molecule in BRD2 (c, PDB entry 4ALG). The seven water sites of the ZA channel are conserved throughout the known BET bromodomain structures, connecting the conserved Tyr66 residue with the WPF shelf through an intricate hydrogen bonding network.