2Q3K
Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in HIV-1 Protease
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 | 10815.8 | 2 | UniProt (O38732) Pfam (PF00077) UniProt (by SIFTS) (P03369) | Human immunodeficiency virus 1 | |
| 2 | C, G (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 3 | D, E, H (A, B) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 4 | F (A) | N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE | non-polymer | 638.8 | 1 | Chemie (MUW) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 110 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: O38732)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21631.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1005.9 | |
| All* | Total formula weight | 22637.5 |
