6DV4
HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand
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 (Q5RZ08) Pfam (PF00077) UniProt (by SIFTS) (P04585) In PDB | Human immunodeficiency virus 1 | |
| 2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | B | tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate | non-polymer | 695.9 | 1 | Chemie (GA5) | |||
| 5 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | water | water | 18.0 | 142 | 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 | 6 |
| Total formula weight | 940.9 | |
| All* | Total formula weight | 22422.3 |
