9KT5
Synchrotron X-ray crystal structure of oxygen-bound F87A/F393H P450BM3 with decoy C7ProPhe (N-enanthyl-L-prolyl-L-phenylalanine) and substrate styrene at 2 MGy X-ray dose
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 | 456 | 52215.5 | 2 | UniProt (P14779) Pfam (PF00067) | Priestia megaterium NBRC 15308 = ATCC 14581 | Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3 |
| 2 | C, H (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, I (A, B) | ethenylbenzene | non-polymer | 104.1 | 2 | Chemie (SYN) | |||
| 4 | E, J (A, B) | OXYGEN MOLECULE | non-polymer | 32.0 | 2 | Chemie (OXY) | |||
| 5 | F, K (A, B) | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid | non-polymer | 360.5 | 2 | Chemie (D0L) | |||
| 6 | G, L, M, N (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 7 | O, P (A, B) | water | water | 18.0 | 880 | Chemie (HOH) |
Sequence modifications
A, B: 0 - 455 (UniProt: P14779)
| PDB | External Database | Details |
|---|---|---|
| Ala 87 | Phe 88 | engineered mutation |
| His 393 | Phe 394 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104431.1 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2594.6 | |
| All* | Total formula weight | 107025.7 |
