6H1S
Structure of the BM3 heme domain in complex with fluconazole
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Bifunctional cytochrome P450/NADPH--P450 reductase | polymer | 457 | 52311.6 | 2 | UniProt (P14779) Pfam (PF00067) In PDB | Bacillus megaterium | Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3 |
| 2 | A, B | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL | non-polymer | 306.3 | 2 | Chemie (TPF) | |||
| 3 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 4 | A, B | PHOSPHATE ION | non-polymer | 95.0 | 5 | Chemie (PO4) | |||
| 5 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 6 | water | water | 18.0 | 561 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 457 (UniProt: P14779)
| PDB | External Database | Details |
|---|---|---|
| Phe 82 | Ala 83 | engineered mutation |
| Val 87 | Phe 88 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104623.2 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2879.0 | |
| All* | Total formula weight | 107502.2 |
