3NLS
Crystal Structure of HIV-1 Protease in Complex with KNI-10772
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 1 | Retropepsin, PR |
| 2 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | D (A) | UREA | non-polymer | 60.1 | 1 | Chemie (URE) | |||
| 4 | E (B) | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | non-polymer | 631.8 | 1 | BIRD (PRD_000572) Chemie (016) | |||
| 5 | F (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 336 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 33 | Val 33 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21609.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 862.1 | |
| All* | Total formula weight | 22471.7 |
