3MXD
Crystal structure of HIV-1 protease inhibitor KC53 in complex 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 (A, B) | HIV-1 protease | polymer | 99 | 10815.8 | 2 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Protease, Retropepsin, PR |
| 2 | C (A) | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide | non-polymer | 625.7 | 1 | Chemie (K53) | |||
| 3 | D, E, G, H (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 4 | Chemie (PO4) | |||
| 4 | F (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 114 | 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 | 6 |
| Total formula weight | 1064.6 | |
| All* | Total formula weight | 22696.2 |
