4KB9
Crystal structure of wild-type HIV-1 protease with novel tricyclic P2-ligands GRL-0739A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Protease | polymer | 99 | 10740.7 | 2 | UniProt (Q7SSI0) Pfam (PF00077) In PDB | Human immunodeficiency virus 1 | |
| 2 | A | (3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 616.8 | 1 | Chemie (G79) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | A, B | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 5 | B | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | water | water | 18.0 | 220 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q7SSI0)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ala 95 | Ser 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1072.0 | |
| All* | Total formula weight | 22553.3 |
