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. Author manuscript; available in PMC: 2013 Dec 13.
Published in final edited form as: J Med Chem. 2007 Aug 16;50(18):10.1021/jm070284z. doi: 10.1021/jm070284z

Table 5.

Hydrogen-Bonding Distances between Protease and Inhibitor Atoms in Crystal Structures of LPV, 13e, and 14a

protease atom inhibitor atom distance (Å) for
LPV 13e 14a
Asp 29 N O30 2.8
Asp 29 OD1 O30 3.2
Asp 29 OD2 O30 3.5
water O30 3.3 (W69)a
water O30 3.1 (W12) 3.3 (W23)
Asp 30 N O30 3.0
water N31 3.3 (W23)
water O28 2.9 (W69) 3.5 (W23)
Gly 27 O N4 3.3
water O5 2.6 (W36) 2.7 (W6) 2.7 (W6)
Asp 25 OD1 O4 3.0 2.7 2.8
Asp 25 OD2 O4 2.8 2.8 2.7
Asp 25′ OD1 O4 2.7 3.0 2.8
Asp 25′ OD2 O4 2.7 2.6 3.0
Gly 27′ O N3 3.0 3.0 3.0
water O2 2.6 (W36) 2.7 (W6) 2.7 (W6)
water O1 3.2 (W26) 3.2 (W67) 3.1 (W3)
Asp 29′ N O1 2.7 2.9 2.8
Asp 29′ OD2 N2 3.0 3.1
Arg 8 NH2 N2 3.5
Gly 48′ O N1 3.1
a

The corresponding water number is in parentheses.