3MXE
Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type 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 | HIV-1 protease | polymer | 99 | 10815.8 | 2 | UniProt (P03369) Pfam (PF00077) In PDB | HIV-1 M:B_ARV2/SF2 (HIV-1) | Protease, Retropepsin, PR |
| 2 | A | (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide | non-polymer | 690.8 | 1 | Chemie (K54) | |||
| 3 | B | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 4 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | water | water | 18.0 | 116 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Ile 64 | Val 554 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21631.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 844.8 | |
| All* | Total formula weight | 22476.3 |
