5AGZ
Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II)
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 | 10775.7 | 2 | UniProt (P03366) Pfam (PF00077) In PDB | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (Z2/CDC-Z34 ISOLATE) | PR, RETROPEPSIN |
| 2 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 3 | A | (3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | non-polymer | 676.8 | 1 | Chemie (QHA) | |||
| 4 | water | water | 18.0 | 279 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Pro 63 | Leu 563 | engineered mutation |
| Thr 82 | Val 582 | engineered mutation |
| Val 84 | Ile 584 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21551.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 783.1 | |
| All* | Total formula weight | 22334.4 |
