6H1T
Structure of the BM3 heme domain in complex with clotrimazole
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 | Bifunctional cytochrome P450/NADPH--P450 reductase | polymer | 458 | 52424.8 | 4 | UniProt (A0A1Q8UP87) Pfam (PF00067) In PDB | Bacillus megaterium | |
| 2 | A, D, B, C | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | C, A, D, B | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE | non-polymer | 344.8 | 4 | Chemie (CL6) | |||
| 4 | C, A, D, B | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 10 | Chemie (MPD) | |||
| 5 | C, A, D, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 15 | Chemie (EDO) | |||
| 6 | D, B | 3[N-MORPHOLINO]PROPANE SULFONIC ACID | non-polymer | 209.3 | 2 | Chemie (MPO) | |||
| 7 | C, B | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 8 | D | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 9 | water | water | 18.0 | 1097 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 458 (UniProt: A0A1Q8UP87)
| 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 | 4 |
| Total formula weight | 209699.1 | |
| Non-Polymers* | Number of molecules | 38 |
| Total formula weight | 6783.0 | |
| All* | Total formula weight | 216482.2 |
