| SYSTEM |
HIV-2
PR
(ROD isolate) with the
inhibitor BILA-2450 containing the hydroxyethylamine dipeptide izostere
|
| HIVdb File |
hiv3bip
|
| PDB File |
1idb
|
| Company or Laboratory |
Boehringer Ingelheim
Pharmaceuticals
|
| Year |
1995
|
| INHIBITOR (Type) |
BILA-2450 (hydroxyethylamine
isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
DBA-PHM-PPL-SPY
(2,6 - dimethyl benzoyl)
acetic acid - phenylalanyl methane - N - (tert-butyl) piperazinyl amide
- 4 - sulfino pyridine
|
| Schematic Formula |
BILA
2450
|
| Resolution |
2.2Ao
|
| R factor |
0.18
|
| 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, p.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 upon inhibitor binding, residues
29 and 30 can also adapt their conformation to fit certain inhibitors |