9CTX
X-ray crystal structure of multi-drug resistant HIV-1 protease (P51) in complex with Darunavir
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 | 99 | 10875.7 | 1 | UniProt (O38893) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | B (A) | (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) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 58 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: O38893)
| PDB | External Database | Details |
|---|---|---|
| Ile 32 | Val 32 | conflict |
| Phe 33 | Leu 33 | conflict |
| Met 54 | Val 54 | conflict |
| Ile 82 | Ala 82 | conflict |
| Val 84 | Ile 84 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 10875.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 639.8 | |
| All* | Total formula weight | 11515.5 |
