Figure 3

Ligand binding in models at a range of seq.id. levels Binding of trifluoroperazine to the N-terminal domain of cardiac troponin C (PDB code: 1WRK). The experimental structure of the complex is shown on the left, with the two trifluoroperazine molecules shown in green and the cleft atoms highlighted in orange. The latter are shown in red in different models of the protein, while the trifluoroperazine molecules (green colour) are kept in the same orientation as in the experimental structure. We can see that in this case, even for good seq.id., protein-ligand contacts are poorly reproduced.