3I8W
Crystal structure of a metallacarborane inhibitor bound to HIV protease
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Protease | polymer | 99 | 10804.8 | 1 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus type 1 | Retropepsin, PR |
| 2 | B (A) | COBALT BIS(1,2-DICARBOLLIDE) | non-polymer | 323.7 | 1 | Chemie (CB5) | |||
| 3 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | E (A) | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 10804.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 451.3 | |
| All* | Total formula weight | 11256.1 |
