4M8Y
GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions
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) | Protease | polymer | 100 | 10912.8 | 2 | UniProt (Q90JJ9) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | C, D (A) | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE | non-polymer | 728.8 | 2 | Chemie (KGQ) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 79 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 100 (UniProt: Q90JJ9)
| PDB | External Database | Details |
|---|---|---|
| Phe 10 | Leu 10 | engineered mutation |
| Val 13 | Ile 13 | engineered mutation |
| Ala 16 | Gly 16 | engineered mutation |
| Met 20 | Lys 20 | engineered mutation |
| Glu 34 | - | insertion |
| Ser 38 | Asp 37 | engineered mutation |
| Val 47 | Ile 46 | engineered mutation |
| Met 55 | Ile 54 | engineered mutation |
| Val 72 | Ala 71 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21825.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1457.6 | |
| All* | Total formula weight | 23283.1 |
