3QAA
HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A
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) | HIV-1 Protease | polymer | 99 | 10740.7 | 2 | UniProt (P03366) Pfam (PF00077) | Human immunodeficiency virus 1 (HIV-1) | Retropepsin, PR |
| 2 | C (A) | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 592.7 | 1 | Chemie (G04) | |||
| 3 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | E, F (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | G, H, I (B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Val 533 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
| Ala 67 | Cys 567 | engineered mutation |
| Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 962.9 | |
| All* | Total formula weight | 22444.2 |
