3CBD
Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
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 P-450/NADPH-P450 reductase | polymer | 455 | 52112.4 | 2 | UniProt (P14779) Pfam (PF00067) | Bacillus megaterium | Cytochrome P450(BM-3), P450BM-3 |
| 2 | C, E (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, F (A, B) | N-PALMITOYLGLYCINE | non-polymer | 313.5 | 2 | Chemie (140) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 281 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 455 (UniProt: P14779)
| PDB | External Database | Details |
|---|---|---|
| Ala 78 | Val 79 | engineered mutation |
| Tyr 138 | His 139 | engineered mutation |
| Ile 175 | Thr 176 | engineered mutation |
| Ile 178 | Val 179 | engineered mutation |
| Val 184 | Ala 185 | engineered mutation |
| Gln 236 | His 237 | engineered mutation |
| Gly 252 | Glu 253 | engineered mutation |
| Ser 255 | Arg 256 | engineered mutation |
| Val 290 | Ala 291 | engineered mutation |
| Thr 295 | Ala 296 | engineered mutation |
| Val 353 | Leu 354 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104224.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1859.9 | |
| All* | Total formula weight | 106084.8 |
