| SYSTEM |
HIV-2
PR
(ROD isolate) with the
inhibitor BILA 1906 containing the hydroxyethylamine dipeptide izostere
|
| HIVdb File |
hiv2bip
|
| PDB File |
1ida
|
| Company or Laboratory |
Boehringer Ingelheim
Pharmaceuticals
|
| Year |
1994
|
| INHIBITOR (Type) |
BILA-1906
(hydroxyethylamine isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
QND - Val - Hbp - Ppl
- PY2 Quinaldic acid - Val - (2-hydroxy - 3-amino - 4-phenyl butane) -
(N- (Tert - Butyl) Piperazinyl amide) - (3 -(Mercapto methylene) pyridine
|
| Resolution |
1.7Ao
|
| R factor |
0.196
|
| Space Group |
P43212
|
| Dimension of Elementary
Cell |
a=62.60,b=62.60,c=115.80
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
L.Tong, S. Pav, S. Mui,
D. Lamarre, C. Yoakim, P. Beaulieu, P.C. Anderson;
Structure, 3, 33, 1995 |
| Comment |
This study shows that besides
the residues in the flap and residues 79-81 in the S1 substrate-binding
pocket which undergo conformational changes upom inhibitor binding, residues
29 and 30 can also adapt their conformation to fit ceratin inhibitors |