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 |
The corresponding water number is in parentheses.