4A4Q
Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | PROTEASE | polymer | 99 | 10775.7 | 2 | UniProt (Q8Q3H0) Pfam (PF00077) | HUMAN IMMUNODEFICIENCY VIRUS (HIV-1) | |
| 2 | C (A) | methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | non-polymer | 719.9 | 1 | Chemie (UX9) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q8Q3H0)
| PDB | External Database | Details |
|---|---|---|
| Pro 63 | Leu 63 | conflict |
| Thr 82 | Val 82 | conflict |
| Val 84 | Ile 84 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21551.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 719.9 | |
| All* | Total formula weight | 22271.2 |
