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) 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) PubChem (175) | |||
| 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) PubChem (21696352) PubChem (22940470) PubChem (148192) PubChem (44182297) PubChem (22940469) PubChem (53667683) PubChem (56971648) PubChem (66587081) PubChem (59651325) PubChem (60098916) PubChem (71313511) PubChem (71306984) PubChem (90944682) PubChem (93971972) PubChem (92402749) PubChem (93971971) PubChem (93971973) PubChem (99650408) PubChem (6101863) PubChem (6540550) PubChem (6540690) PubChem (9962872) PubChem (131839569) PubChem (134694218) PubChem (124636677) PubChem (138393803) PubChem (138393804) PubChem (144108234) PubChem (144517104) PubChem (173493799) | |||
| 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 |
