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 (A, B) | protease | polymer | 99 | 10740.7 | 2 | UniProt (Q9EKL4) Pfam (PF00077) UniProt (by SIFTS) (P03367) | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | C, E, F (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) PubChem (753) | |||
| 3 | D (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) PubChem (60927) PubChem (374224) PubChem (480156) PubChem (489479) PubChem (3002376) PubChem (6334907) PubChem (3839) PubChem (90662095) PubChem (9809945) PubChem (9917795) PubChem (466585) PubChem (94450493) PubChem (94450494) PubChem (94450495) PubChem (92856590) PubChem (100948700) PubChem (142986584) | |||
| 4 | G, H (A, B) | 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 |
