6OGQ
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-003
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 | 10781.6 | 1 | UniProt (O38885) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | B (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | C (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 4 | D (A) | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate | non-polymer | 688.8 | 1 | Chemie (JDV) | |||
| 5 | E (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | F (A) | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: O38885)
| PDB | External Database | Details |
|---|---|---|
| Ile 32 | Val 32 | conflict |
| Ile 54 | Val 54 | conflict |
| Val 84 | Ile 84 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 10781.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 983.1 | |
| All* | Total formula weight | 11764.7 |
