6OTG
HIV-1 protease triple mutants V32I, I47V, V82I with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate)
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 | 99 | 10754.7 | 2 | UniProt (Q7SSI0) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | C, D, E, H (A, B) | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) | |||
| 3 | F (B) | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 591.7 | 1 | Chemie (4UY) | |||
| 4 | G (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q7SSI0)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 32 | Val 32 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Val 47 | Ile 47 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ile 82 | Val 82 | engineered mutation |
| Ala 95 | Ser 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21509.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 867.9 | |
| All* | Total formula weight | 22377.3 |
