1JUM
Crystal structure of the multidrug binding transcriptional repressor QacR bound to the natural drug berberine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (B, D, A, E) | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION | polymer | 194 | 22983.0 | 4 | UniProt (P0A0N4) Pfam (PF00440) Pfam (PF08360) | Staphylococcus aureus | QACR REPRESSOR, ORF 188 |
| 2 | AA, E, F, G, H... (E, B, D, A) | SULFATE ION | non-polymer | 96.1 | 22 | Chemie (SO4) | |||
| 3 | T (A) | BERBERINE | non-polymer | 336.4 | 1 | Chemie (BER) | |||
| 4 | BA, CA, DA (D, A, E) | water | water | 18.0 | 7 | Chemie (HOH) |
Sequence modifications
B, D, A, E: 1 - 188 (UniProt: P0A0N4)
| PDB | External Database | Details |
|---|---|---|
| Ala 72 | Cys 72 | engineered mutation |
| Ser 141 | Cys 141 | engineered mutation |
| His 189 | - | expression tag |
| His 190 | - | expression tag |
| His 191 | - | expression tag |
| His 192 | - | expression tag |
| His 193 | - | expression tag |
| His 194 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 91932.1 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2449.7 | |
| All* | Total formula weight | 94381.8 |
