. 2006 Sep 5;101(1):89–94. doi: 10.1016/j.jinorgbio.2006.08.013

Table 2.

Binding site and H-bond formation (H-bond length: Å)

Complex	3CL^pro residue	Ligand atom	Distance
1,2-PTi₂/3CL^pro	A46:O	O11	2.29
	A145:O	O16	2.75
	A164:O	O22	1.75
	A41:ND1	O22	2.87
	A41:ND1	O23	1.40
	A41:ND1	O25	2.56
	A189:OE1	O28	0.76
	A26:O	O41	1.96

1,4-PTi₂/3CL^pro	A166:O	O6	2.04
	A41:HE2	O20	2.11
	A166:OE2	O44	2.98
	A41:ND1	O47	2.35
	A143:O	O50	1.84
	A145:HN	O50	2.47

1,11-PTi₂/3CL^pro	A25:OG1	O12	1.47
	A41:O	O12	2.96
	A26:O	O19	2.51
	A187:O	O22	2.92
	A166:O	O27	2.86
	A142:OD1	O42	2.51

1,5-PTi₂/3CL^pro	A119:OD1	O9	2.37
	A145:HN	O9	2.13
	A166:OE1	O19	1.39
	A26:O	O22	1.44
	A46:O	O29	1.69
	A41:O	O36	1.48
	A164:O	O39	1.92
	A166:O	O42	2.76
	A41:HE2	O43	2.07

1,6-PTi₂/3CL^pro	A25:O	O45	2.28
	A26:O	O52	2.13
	A26:HN	O39	0.67
	A41:O	O50	2.53
	A41:ND1	O42	2.65
	A41:HE2	O33	1.96
	A44:O	O47	2.93
	A142:O	O48	2.84