2FXD
X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | pol protein | polymer | 99 | 10759.7 | 2 | GenBank (21929323) Pfam (PF00077) UniProt (by SIFTS) (Q90HG9) | Human immunodeficiency virus 1 | |
| 2 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | D (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | E (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) | |||
| 5 | F, G (A, B) | water | water | 18.0 | 193 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (GenBank: 21929323)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 10 | Leu 10 | engineered mutation |
| Val 13 | Ile 13 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Asn 37 | Ser 37 | engineered mutation |
| Lys 41 | Arg 41 | engineered mutation |
| Ile 46 | Met 46 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Phe 82 | Val 82 | engineered mutation |
| Val 84 | Ile 84 | engineered mutation |
| Met 90 | Leu 90 | engineered mutation |
| Ala 95 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21519.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 860.0 | |
| All* | Total formula weight | 22379.3 |
