6E7J
HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold 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 | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 651.8 | 1 | Chemie (HWY) | |||
| 3 | A, B | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | water | water | 18.0 | 155 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q5RZ08)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | conflict |
| Ile 33 | Leu 33 | conflict |
| Ile 63 | Leu 63 | conflict |
| Ala 67 | Cys 67 | conflict |
| Ala 95 | Cys 95 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 839.6 | |
| All* | Total formula weight | 22320.9 |
