1FB7
CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | HIV-1 PROTEASE | polymer | 99 | 10849.8 | 1 | UniProt (Q72874) Pfam (PF00077) UniProt (by SIFTS) (P04585) | Human immunodeficiency virus 1 | |
| 2 | B (A) | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | non-polymer | 670.8 | 1 | BIRD (PRD_000454) Chemie (ROC) PubChem (44341147) PubChem (44302795) PubChem (59793479) PubChem (59871017) PubChem (59923166) PubChem (441243) PubChem (66577040) PubChem (67631661) PubChem (454468) PubChem (454469) PubChem (454470) PubChem (466470) PubChem (59964683) PubChem (86575993) PubChem (67631659) PubChem (3000788) PubChem (60787) PubChem (60935) PubChem (90772039) PubChem (3579812) PubChem (118718788) PubChem (5472919) PubChem (126968593) PubChem (129626579) PubChem (6604589) PubChem (101609863) PubChem (134694388) PubChem (140571999) PubChem (11422480) PubChem (124587484) PubChem (15107606) PubChem (129626581) PubChem (131839596) PubChem (135285682) PubChem (146347457) | |||
| 3 | C (A) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: Q72874)
| PDB | External Database | Details |
|---|---|---|
| Val 48 | Gly 536 | engineered mutation |
| Met 90 | Leu 578 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 10849.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 670.8 | |
| All* | Total formula weight | 11520.7 |
