| SYSTEM |
HIV-1 PR (BH5 isolate)mutant
V82A with inhibitor A77003
|
| HIVdb File |
hiv14nci
|
| PDB File |
1hvs
|
| Company or Laboratory |
SAIC, NCI-FCRDC Frederick
|
| Year |
1995
|
| INHIBITOR (Type) |
A77003 (C2 symmetry-based
diol isostere (R,S))
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
|
| Schematic Formula |
A77003
|
| Resolution |
2.25Ao
|
| R factor |
0.15
|
| Space Group |
P212121
|
| Dimension of Elementary
Cell |
a=51.90,b=59.60,c=62.30
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
E.T.Baldwin, T.N.Bhat, B.Liu,
N. Pattabiraman, J.W.Erickson; Nat.
Struct. Biol., 2, 244, 1995. |
| Comment |
Crystal structure of mutant
HIV-1 PR V82A in complex with inhibitor A-77003 C2 symmetry based diol.
Mutation would result in decreased van der Waals interactions with Phe
rings of A77003 |