8FUI
HIV-1 wild type protease with GRL-02519A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group
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 (Q5RZ08) Pfam (PF00077) UniProt (by SIFTS) (P03367) | Human immunodeficiency virus 1 | |
| 2 | C (A) | N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide | non-polymer | 679.8 | 1 | Chemie (Y9R) | |||
| 3 | D, I (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | E, J, K, L (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | F (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | G (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | H, M (A, B) | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) | |||
| 8 | N, O (A, B) | water | water | 18.0 | 250 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q5RZ08)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 33 | Leu 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 | 11 |
| Total formula weight | 1110.8 | |
| All* | Total formula weight | 22592.2 |
