5DGU
Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A
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) | Pol protein | polymer | 99 | 10740.7 | 2 | UniProt (Q8Q3H0) Pfam (PF00077) UniProt (by SIFTS) (P04585) | Human immunodeficiency virus 1 | |
| 2 | C (A) | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 606.7 | 1 | Chemie (5B7) | |||
| 3 | D, G (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | E, H, I (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | F (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 186 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q8Q3H0)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | conflict |
| Ile 33 | Leu 33 | conflict |
| Ile 63 | Leu 63 | conflict |
| Ala 67 | Cys 67 | conflict |
| Ala 95 | Cys 95 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 818.1 | |
| All* | Total formula weight | 22299.5 |
