| SYSTEM |
HIV-1
PR
(synthetic enzyme) with
inhibitor U-85548E
|
| HIVdb File |
hiv7nci
|
| PDB File |
8hvp
|
| Company or Laboratory |
ABL-BRP, NCI-FCRDC Frederick
|
| Year |
1991
|
| INHIBITOR (Type) |
U-85548E
(hydroxyethylene isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
H - Val - Ser - Gln
- Asn - Leu - psi[CH(OH)CH2] - Val - Ile - Val - OH
|
| Resolution |
2.5Ao
|
| R factor |
0.138
|
| Space Group |
P212121
|
| Dimension of Elementary
Cell |
a=51.65,b=58.76,c=61.62
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
M.Jaskolski, A.G.Tomasselli,
T.K.Sawyer, D.G.Staples,R.L. Heinrikson,J. Schneider, S.B.H. Kent, A.Wlodawer;
Biochemistry, 30, 1600, 1991 |
| Comment |
Substrate based inhibitor
contains hydroxyethylene replacement at the scissile bond , believe to
mimic the tetrahedral trans. state |