Table 1.

Characteristics of GCase potential binding sites. Described residues used in molecular docking for binding site definition.

Site	Residues	Binding Free Energy, kcal/mol
BS1	S366, T369, S370, Q362, G344, V343, W312, D315, F316, A318, P319, A320	−53.7 ± 4.0
BS2	K194, G195, S196, L197, G199, Q200, G239, L249, G250, F251, T252, H255	−48.7 ± 2.5
BS3	E429, P428, I427, F426, K425, P29, R170, H451, S455	−35.3 ± 2.3
BS4	G64, L65, D467, V468, D443, D444, N442, K441, Q440, S439	−32.1 ± 2.5
BS5	H274, V276, R277, L278, H306, K303, Y304, V305, G265, L268, A269	−34.3 ± 3.2
BS6	F128, S129, I130, R131, T132, N192, P391	−29.00 ± 2.9