5UPZ
HIV-1 wild Type protease with GRL-0518A , an isophthalamide-derived P2-P3 ligand with the para-hydoxymethyl sulfonamide isostere as the P2' 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 (C8B467) Pfam (PF00077) UniProt (by SIFTS) (P03366) | Human immunodeficiency virus 1 | |
| 2 | C (A) | N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide | non-polymer | 662.8 | 1 | Chemie (8HD) | |||
| 3 | D, G (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | E, H, I (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | F, J (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 264 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: C8B467)
| 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 | 8 |
| Total formula weight | 999.3 | |
| All* | Total formula weight | 22480.7 |
