Fig. 6.

One example illustrating the different reference complexes selected by KGS2 and KGS. a Binding pocket on the query complex, a complex formed by α-L-fucosidase and an small-molecule inhibitor (PDB entry 2ZX7); (b) Binding pocket on the reference complex selected by KGS2, which is also a complex formed by α-L-fucosidase (PDB entry 2ZX8); (c) Binding pocket on the reference complex selected by KGS, which is a complex formed by 4-hydroxy-2-oxo-heptane-1,7-dioate aldolase (PDB entry 4B5W)