| SYSTEM |
HIV-1
PR
(BH10 isolate) with
C2 - symmetry-based diol inhibitor A7703(R,S)
|
| HIVdb File |
hiv9nci
|
| PDB File |
1hvi
|
| Company or Laboratory |
SAIC, NCI-FCRDC Frederick
|
| Year |
1994
|
| INHIBITOR (Type) |
A77003 (C2 symmetry
based diol isostere)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
N-methyl - N2methyl
- piperidyl - Val - Phe - [CH(OH) CH(OH)]- Phe - Val - N-methyl - N2 methyl
- piperidyl (R,S)
|
| Schematic Formula |
A77003
|
| Resolution |
1.8Ao
|
| R factor |
0.181
|
| Space Group |
P212121
|
| Dimension of Elementary
Cell |
a=51.98,b=59.65,c=62.310
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
M.V.Hosur, T.N.Bhat, D.Kempf,
E.T. Baldwin, B.Liu, S.Gulnik, N. Wideburg, D.W.Norbeck, J.W. Erickson;
J.Am.Chem.Soc., 116, 847, 1994 |
| Comment |
Crystal structures of a
diastereomeric series of C2 symmetry-based diol inhibitors, along with
a deshydroxy analogue, bound to HIV PR. |