3N3I
Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Protease | polymer | 203 | 22079.0 | 1 | UniProt (P04585) Pfam (PF00077) | Human immunodeficiency virus type 1 (HIV-1) | Retropepsin, PR |
| 2 | B (A) | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | non-polymer | 670.8 | 1 | BIRD (PRD_000454) Chemie (ROC) | |||
| 3 | C (A) | water | water | 18.0 | 60 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: P04585)
A: 1001 - 1099 (UniProt: P04585)
| PDB | External Database | Details |
|---|---|---|
| Val 48 | Gly 536 | engineered mutation |
| Phe 95 | Cys 583 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 100 | - | linker |
| Gly 101 | - | linker |
| Ser 102 | - | linker |
| Ser 103 | - | linker |
| Gly 104 | - | linker |
| Val 1048 | Gly 536 | engineered mutation |
| Phe 1095 | Cys 583 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 22079.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 670.8 | |
| All* | Total formula weight | 22749.8 |
