6VCE
HIV-1 wild type protease with GRL-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a bridged methylene group as a 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) (P03367) 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 | 6 | Chemie (CL) | |||
| 4 | B | N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide | non-polymer | 704.8 | 1 | Chemie (G6R) | |||
| 5 | B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | water | water | 18.0 | 225 | 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 | 10 |
| Total formula weight | 1124.7 | |
| All* | Total formula weight | 22606.1 |
