2HB3
Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579
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) | Protease | polymer | 99 | 10740.7 | 2 | UniProt (P03366) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | C, E, F (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 3 | D, G (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | H (B) | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE | non-polymer | 560.7 | 1 | Chemie (GRL) | |||
| 5 | I (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 506 | engineered mutation |
| Ile 33 | Leu 532 | engineered mutation |
| Ile 63 | Leu 562 | engineered mutation |
| Ala 67 | Cys 566 | engineered mutation |
| Ala 95 | Cys 594 | 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 | 805.1 | |
| All* | Total formula weight | 22286.5 |
