Table 2.

Definition of ligand binding residues. A residue in the target structure was defined as binding if it had at least one heavy atom of a biologically relevant ligand within 0.5 Å distance of the sum of the Van der Waals radii of the involved atoms.

Target	Binding site (residue numbers)
T0652	74, 79, 80, 99, 100, 101, 102, 103, 104, 165, 180, 182, 183
T0657	121, 132, 133, 143
T0659	43, 48, 63
T0675	21, 24, 37, 42, 49, 52, 65, 70
T0686	28, 30, 103
T0696	18, 69, 104
T0697	91, 150, 151, 152, 190, 243, 245, 247, 272, 274, 301, 303, 304, 351
T0706	25, 27, 99, 101, 129, 130
T0720	32, 34, 35, 62, 99, 113, 114, 115, 182, 188, 191, 194, 197, 200
T0721	10, 12, 13, 14, 33, 34, 35, 36, 37, 38, 39, 42, 45, 46, 60, 78, 79, 80, 109, 110, 111, 114, 126, 136, 235, 237, 268, 269, 277, 278, 281
T0726	273, 277, 307
T0737	37, 40, 41, 42, 44, 45, 49, 78, 83, 114, 117, 118, 120, 121, 123, 124, 128, 130, 135, 138, 174, 237
T0744	22, 23, 24, 26, 58, 61, 120, 121, 122, 124, 196, 214, 216, 270, 271, 272, 273, 314, 316