| SYSTEM |
HIV-1
PR
(BH10 isolate) with
penicillin derived inhibitor GR137615
|
| HIVdb File |
hiv3glx
|
| PDB File |
1htg
|
| Company or Laboratory |
Glaxo Group Research
Limited
|
| Year |
1994
|
| INHIBITOR (Type) |
GR137615 (penicillin-derived
inhibitor)
|
| Composition of the Inhibitor
(Substrate) or Summary Formula |
2 - (benzyl carbamoyl
- phenyl acetyl amino - methyl)- 5,5 - dimethyl - thiazolidine - 4 - carboxylic
acid 3- [(1H - benzamidol - 2 - ylmethyl carbamoyl) - 1 - benzyl - 2 -
hydroxy propyl] - amide
|
| Schematic Formula |
GR137615
|
| Resolution |
2Ao
|
| R factor |
0.19
|
| Space Group |
P21212
|
| Dimension of Elementary
Cell |
a=59.30,b=87.40,c=46.60
|
| a,b,g
(alpha,beta,gamma)
|
a=b=g=90
|
| Reference |
H.Jhoti, O.M.P.Singh, M.P.Weir,
R.Cooke, P. Murray-Rust, A.Wonacott; Biochemistry,
33, 8417, 1994 |
| Comment |
GR137615 is penicillin-derived
inhibitor which shows retro-binding in this complex and therefore is presented
in two alternate conformations. For clarity, the two conformations are
presented as separate HET groups G37 300 and G37 600, occupancy =0.5 |