3A2O
Crystal Structure of HIV-1 Protease Complexed with KNI-1689
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 (Q9EKL4) Pfam (PF00077) UniProt (by SIFTS) (P03367) | Human immunodeficiency virus 1 | |
| 2 | C (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | D (B) | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide | non-polymer | 568.7 | 1 | BIRD (PRD_000584) Chemie (KNJ) | |||
| 4 | E, F (A, B) | water | water | 18.0 | 632 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q9EKL4)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 33 | Val 33 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ala 95 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 660.8 | |
| All* | Total formula weight | 22142.2 |
