3S54
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P21212
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 | 10754.7 | 2 | UniProt (Q7SSI0) Pfam (PF00077) In PDB | Human immunodeficiency virus 1 | |
| 2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | B | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | non-polymer | 547.7 | 1 | Chemie (017) | |||
| 5 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | water | water | 18.0 | 161 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q7SSI0)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 32 | Val 32 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Val 47 | Ile 47 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ile 82 | Val 82 | engineered mutation |
| Ala 95 | Ser 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21509.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 792.7 | |
| All* | Total formula weight | 22302.1 |
