9WOH
Crystal structure of P450BSbeta 5M variant in complex with octanoic acid
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) | Fatty-acid peroxygenase | polymer | 418 | 48511.4 | 2 | UniProt (O31440) Pfam (PF00067) | Bacillus subtilis (strain 168) | Cytochrome P450 152A1,Cytochrome P450BsBeta,Fatty acid beta-hydroxylase |
| 2 | C, E (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, F (A, B) | OCTANOIC ACID (CAPRYLIC ACID) | non-polymer | 144.2 | 2 | Chemie (OCA) PubChem (379) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 285 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 417 (UniProt: O31440)
| PDB | External Database | Details |
|---|---|---|
| His 0 | - | expression tag |
| Met 1 | - | expression tag |
| Asp 2 | - | expression tag |
| Tyr 77 | Ser 77 | conflict |
| Arg 78 | Leu 78 | conflict |
| Met 85 | Gln 85 | conflict |
| Gln 86 | Gly 86 | conflict |
| Gln 400 | Met 400 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97022.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1521.4 | |
| All* | Total formula weight | 98544.2 |
