Skip to main content
. Author manuscript; available in PMC: 2019 Jul 19.
Published in final edited form as: J Comput Aided Mol Des. 2018 Jul 12;32(7):769–779. doi: 10.1007/s10822-018-0124-z

Figure 4. Percent of residues common to the largest pockets in ligand-bound and protein-bound conformations.

Figure 4

The interface largest pocket in protein-bound conformation typically is the same pocket that participates in ligand binding. On average, 74% of side-chains of the largest pocket in the protein-bound conformation bind to the ligand in the holo conformation, and 62% of side chains that are in contact with the inhibitor in the holo conformation are present in the pocket in the protein-bound conformation.