| SYSTEM |
HIV-2
PR
(ROD isolate) with inhibitor
CGP53820
|
| HIVdb File |
hiv2cgp
|
| PDB File |
1hii
|
| Company or Laboratory |
Ciba-Geigy Pharmaceutical
Ltd.
|
| Year |
1995
|
| INHIBITOR (Type) |
CGP53820 (hydroxyethylene
isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
acetyl - Val - Phe -
psi [CH(OH)CH2] - Cha - Val - acetyl
|
| Schematic formula |
CGP53820
|
| Resolution |
2.3Ao
|
| R factor |
0.138
|
| Space Group |
P212121
|
| Dimension of Elementary
Cell |
a=33.40,b=64.20,c=99.50
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
J.B.Priestle, A. Fassler,
J. Rosel, M.Tintelnot - Blomley, P.Strop, M.G. Grutter;
Structure, 3, 381, 1995 |
| Comment |
Crystal structure of HIV-1
PR (and HIV-2 PR) each in complex with the psudosymetric inhibitor CGP53280.
Minor sequence changes in subsites at the active site can explain some
of the observed differences in subst. and inhib. binding between the two
enzymes |