A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)
Fig 5
Different interaction patterns for structures from the solution NMR ensemble of ileal lipid-binding protein (PDB ID 1eio, chain A).
The ensemble contains five conformers in total. Models 1, 3, and 4 (from left to right) were used to generate this illustration. Residues with alternating interaction patterns in the different conformations are highlighted and occupy nearly half of the pocket. The remaining part of the pocket is mainly engaged in hydrophobic contacts and three hydrogen bond interactions with the small molecule glycocholate. The figure was generated using LigPlot+[69].