3EL9
Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V)
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 | 99 | 10789.7 | 2 | UniProt (P03369) Pfam (PF00077) In PDB | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | A | (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 | 1 | Chemie (DR7) | |||
| 3 | A | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | A, B | PHOSPHATE ION | non-polymer | 95.0 | 6 | Chemie (PO4) | |||
| 5 | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Thr 82 | Val 572 | engineered mutation |
| Val 84 | Ile 574 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21579.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1333.7 | |
| All* | Total formula weight | 22913.1 |
