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. 2020 Nov 27;477(22):4443–4452. doi: 10.1042/BCJ20200735

Figure 3. MerTK in complex with EX172 (PDB entry 7AAZ).

Figure 3.

The kinase domain N-lobe is rendered in white, the C-lobe in grey and the A-loop in orange. (A) Structure overview. EX172 packs its methylpiperazine against helix-C and stabilizes the A-loop. (B) The binding pocket in detail. Residues within 5 Å of the ligand are rendered as wires and the cavity they define as surface. H-bonds are depicted as yellow dashes with distances in Å indicated. (C) Model of the structure with A-loop tyrosine 754 phosphorylated. A phosphate would replace a water molecule which is found between tyrosine hydroxyl and EX172 piperazine in the original structure 7AAZ. A phosphate would directly contact the compound, an adjacent water and Arg758.