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. 2016 Mar 10;4:e1791. doi: 10.7717/peerj.1791

Figure 3. Diverse binding modes of aspirin to the putative targets.

Figure 3

The docking experiments reveal diverse binding modes of aspirin to these targets (A) Aspirin binding to protein CDK13 (3LQ5.pdb). (B) Aspirin binding to protein RAC1 (1RYH.pdb). © Aspirin binding to protein ITGAL (3BQM.pdb). The overview and close-up view of the binding mode of aspirin to their putative targets are shown in A-C and D-F, respectively. The close-up view (D-F) show all amino acids in the vicinity of aspirin. Aspirin and the known ligands of the three proteins are colored with green and red, respectively (A-C). The residues involved in binding to both aspirin and the ligands are shown as sticks and colored with blue (A-C). SLQ (A), GNP (B) and BQM © are ATP-analog inhibitor of the kinase CDK13, the substrate of the protein RAC1 and the inhibitor of protein ITGAL, respectively.