2IEN
Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
Replaces: 1S6GEntity
| 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 (P03368) Pfam (PF00077) UniProt (by SIFTS) (P03367) In PDB | Human immunodeficiency virus 1 | Retropepsin |
| 2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | A, B | ACETIC ACID | non-polymer | 60.1 | 2 | Chemie (ACY) | |||
| 5 | B | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | non-polymer | 547.7 | 1 | Chemie (017) | |||
| 6 | B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | water | water | 18.0 | 246 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03368)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 506 | engineered mutation |
| Ile 33 | Leu 532 | engineered mutation |
| Ile 63 | Leu 562 | engineered mutation |
| Ala 67 | Cys 566 | engineered mutation |
| Ala 95 | Cys 594 | 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 | 945.9 | |
| All* | Total formula weight | 22427.2 |
