3TKW
Crystal structure of HIV protease model precursor/Darunavir complex
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 | 103 | 11236.2 | 2 | UniProt (P03367) Pfam (PF00077) UniProt (by SIFTS) (P03366) In PDB | Human immunodeficiency virus type 1 (HIV-1) | |
| 2 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 3 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | 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) | |||
| 5 | B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B: -3 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | conflict |
| Ile 33 | Leu 533 | conflict |
| Ile 63 | Leu 563 | conflict |
| Ala 67 | Cys 567 | conflict |
| Ala 95 | Cys 595 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 22472.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 861.2 | |
| All* | Total formula weight | 23333.6 |
