Figure 7
From: Machine learning to estimate the local quality of protein crystal structures
Application of QAEmap for a compound binding. (a) Boxes with (left) and without (right) SAH of His108 of SET domain protein methyltransferase (PDB: 3F9X, at 1.25 Å resolution) neighboring a SAH molecule (magenta), which is an input for QAEmap, includes SAH partially. There are a total of nine residues neighboring SAH. (b) Values of bCCact. for the nine residues with and without SAH. (c) Surface presentation colored by the differences between SAH-bound and SAH-unbound of bCCact. of the correct structure, or bCCpred. of simulated low-resolution structures at resolutions in the range of 2–4 Å. The scores of bCC indicate the binding structure is preferred.
