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Interaction statistics

This tab provides a consolidated view of all interaction data from every PDB entry in which the ligand appears. It presents three complementary visual tools:

1. Ligand atom heatmap: displaying how frequently each ligand atom interacts across all protein-ligand complexes in the PDB. Darker green cells indicate ligand atoms that binds more often with proteins. Use the vertical track handle to zoom in on ligand atoms. When 25 or fewer atoms are selected, atom names appear for easier identification.
2. Ligand 2D image: showing interaction frequency directly on the 2D structure of the ligand. Atoms that participate in interactions more frequently appear as larger, darker green circles. Hovering or clicking on an atom will highlight the corresponding cells in the heatmap, providing an integrated, synchronised view.
3. Amino-acid heatmap: illustrating how often each ligand atom interacts with specific protein residues. Darker cells represent more frequent interactions, helping identify which residue types the ligand binds to most often.
Exercise
1. What kind of amino acids does this ligand generally binds to ?
2. Which is the most frequently interacting amino-acid with ligand ?
3. Which is the most interacting ligand atom in the heatmap and where it is located in the ligand 2D image.
4. Which ligand atoms generally involved in hydrphobic interactions ? (Hint: use filter by menu on the left hand side and select desired interaction type)
Figure 12: View filtered to display only hydrophobic interactions. Both the heatmap and the ligand 2D image update accordingly to highlight the ligand atoms and amino acids involved in these interactions.