Overview of the bromodomain ATAD2A bound to histone H4 with Kac5 inserted

The movie shows in succession three representations of the relaxed simulation structure of the bromodomain of ATAD2A with acetylated lysine in position 5 (Kac5) inserted. The ligand is the first ~20 residues of humane histone H4 in doubly acetylated form (K5 and K12). In the first representation, the electrostatic potential of just ATAD2A (calculated with APBS) is mapped to the molecular surface of the protein (in UCSF Chimera). The second displays ATAD2A’s van der Waals envelope colored by residue type. The third is a cartoon representation of the H4 histone peptide binding mode with Kac5 inserted. In all representations, a full rotation around the vertical screen axis occurs. For the last rotation, and additional tilt around the horizontal screen axis is shown to show clearly the peptide (some residues are highlighted by sticks). Labels and color legends are incorporated into the movie itself.