2A1E
High resolution structure of HIV-1 PR with TS-126
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) | Pol polyprotein | polymer | 99 | 10740.7 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus 1 | HIV-1 PROTEASE |
| 2 | C, D, E, F, L (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 3 | G (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | H (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | I, J (B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | K (B) | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | non-polymer | 905.1 | 1 | Chemie (IPF) | |||
| 7 | M (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | N, O (A, B) | water | water | 18.0 | 272 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 75 | engineered mutation |
| Ile 33 | Leu 101 | engineered mutation |
| Ile 63 | Leu 131 | engineered mutation |
| Ala 67 | Cys 135 | engineered mutation |
| Ala 95 | Cys 163 | 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 | 1564.4 | |
| All* | Total formula weight | 23045.7 |
