3R0Y
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
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) | Multidrug-resistant clinical isolate 769 HIV-1 Protease | polymer | 99 | 10769.6 | 2 | UniProt (Q000H7) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | C (A) | N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | non-polymer | 597.7 | 1 | BIRD (PRD_001113) Chemie (RSZ) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 193 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q000H7)
| PDB | External Database | Details |
|---|---|---|
| Asn 25 | Asp 25 | conflict |
| Glu 35 | Asp 35 | conflict |
| Val 36 | Ile 36 | conflict |
| Leu 46 | Met 46 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21539.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 597.7 | |
| All* | Total formula weight | 22137.0 |
