3BTI
crystal structure of QacR(E58Q) bound to berberine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B, D, A, E | HTH-type transcriptional regulator qacR | polymer | 188 | 22153.2 | 4 | UniProt (P0A0N3) Pfam (PF00440) Pfam (PF08360) In PDB | Staphylococcus aureus subsp. aureus Mu50 | |
| 2 | B, D, A, E | SULFATE ION | non-polymer | 96.1 | 17 | Chemie (SO4) | |||
| 3 | A | BERBERINE | non-polymer | 336.4 | 1 | Chemie (BER) | |||
| 4 | water | water | 18.0 | 6 | Chemie (HOH) |
Sequence modifications
B, D, A, E: 1 - 188 (UniProt: P0A0N3)
| PDB | External Database | Details |
|---|---|---|
| Gln 58 | Glu 58 | engineered mutation |
| Ala 72 | Cys 72 | engineered mutation |
| Ser 141 | Cys 141 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 88612.6 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1969.4 | |
| All* | Total formula weight | 90582.1 |
