3OXW
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (B, A, D, C) | HIV-1 Protease | polymer | 99 | 10815.8 | 4 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | E, Q (B, D) | (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 | 2 | Chemie (017) | |||
| 3 | F, K, R (B, A, C) | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) | |||
| 4 | G, H, L, N (B, A, D) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 5 | I, M, T, U, V (B, A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 6 | J, O, P, S (B, D, C) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 7 | W, X, Y, Z (B, A, D, C) | water | water | 18.0 | 141 | Chemie (HOH) |
Sequence modifications
B, A, D, C: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Val 50 | Ile 540 | engineered mutation |
| Val 71 | Ala 561 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 43263.2 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2295.1 | |
| All* | Total formula weight | 45558.3 |
