3OXX
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir
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, C, D) | HIV-1 PROTEASE | polymer | 99 | 10815.8 | 4 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | E, F, L, O, P... (B, A, C, D) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 3 | G, M, V (B, A, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | H, I, J, Q, R... (B, C, D) | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) | |||
| 5 | K, N (A, C) | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | non-polymer | 704.9 | 2 | Chemie (DR7) | |||
| 6 | T (D) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 7 | W, X, Y, Z (B, A, C, D) | water | water | 18.0 | 148 | Chemie (HOH) |
Sequence modifications
B, A, C, D: 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 | 2597.7 | |
| All* | Total formula weight | 45860.9 |
