3QRM
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 (A, B) | Protease | polymer | 99 | 10804.8 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1) | PR, Retropepsin |
| 2 | C (A) | 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide | non-polymer | 600.6 | 1 | Chemie (NK7) | |||
| 3 | D, F, G (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | E (A) | DITHIANE DIOL | non-polymer | 152.2 | 1 | Chemie (DTD) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 250 | 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 | 5 |
| Total formula weight | 859.2 | |
| All* | Total formula weight | 22468.8 |
