6H1L
Structure of the BM3 heme domain in complex with tioconazole
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) | Bifunctional cytochrome P450/NADPH--P450 reductase | polymer | 457 | 52311.6 | 2 | UniProt (F2Q7T0) Pfam (PF00067) | Bacillus megaterium | |
| 2 | C, O (A, B) | Tioconazole | non-polymer | 387.7 | 2 | Chemie (FJQ) | |||
| 3 | D, P (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 4 | E, F, Q (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) | |||
| 5 | G (A) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TLA) | |||
| 6 | H (A) | 1,4-DIETHYLENE DIOXIDE | non-polymer | 88.1 | 1 | Chemie (DIO) | |||
| 7 | I, J, K, L, M... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 8 | V (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 9 | W, X (A, B) | water | water | 18.0 | 503 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 457 (UniProt: F2Q7T0)
| PDB | External Database | Details |
|---|---|---|
| Phe 82 | Ala 83 | conflict |
| Val 87 | Phe 88 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104623.2 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 3258.3 | |
| All* | Total formula weight | 107881.5 |
