3FX5
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography
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 | 10740.7 | 2 | UniProt (Q9EKL4) Pfam (PF00077) UniProt (by SIFTS) (P03367) In PDB | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | A, B | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 3 | B | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide | non-polymer | 667.8 | 1 | BIRD (PRD_000562) Chemie (KNI) | |||
| 4 | water | water | 18.0 | 470 | 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 | 4 |
| Total formula weight | 944.1 | |
| All* | Total formula weight | 22425.5 |
