3QRO
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
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 | 10804.8 | 2 | UniProt (P03367) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1) | PR, Retropepsin |
| 2 | A | 4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide | non-polymer | 564.6 | 1 | Chemie (NK9) | |||
| 3 | A | DITHIANE DIOL | non-polymer | 152.2 | 1 | Chemie (DTD) | |||
| 4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | water | water | 18.0 | 206 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21609.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 915.3 | |
| All* | Total formula weight | 22524.9 |
