9WMB
crystal structure of a P450 BM3 heme domain mutant in complex with Zearalenone
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 | 455 | 52146.3 | 2 | UniProt (P14779) | Priestia megaterium (strain NBRC 15308) | Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3 |
| 2 | C, E (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, F (A, B) | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | non-polymer | 318.4 | 2 | Chemie (ZER) PubChem (16236228) PubChem (442549) PubChem (40468642) PubChem (5375083) PubChem (165628) PubChem (12445020) PubChem (5281576) PubChem (162912528) | |||
| 4 | G (B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) PubChem (3777159) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 759 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 456 (UniProt: P14779)
| PDB | External Database | Details |
|---|---|---|
| Ala 2 | Thr 2 | conflict |
| Trp 48 | Arg 48 | conflict |
| Trp 73 | Ser 73 | conflict |
| Asn 77 | Lys 77 | conflict |
| Leu 79 | Val 79 | conflict |
| Glu 81 | Asp 81 | conflict |
| Ile 82 | Phe 82 | conflict |
| Gln 83 | Ala 83 | conflict |
| Gly 88 | Phe 88 | conflict |
| Leu 89 | Thr 89 | conflict |
| Thr 178 | Met 178 | conflict |
| Gln 186 | Met 186 | conflict |
| Ile 206 | Phe 206 | conflict |
| Thr 210 | Ile 210 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104292.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1991.8 | |
| All* | Total formula weight | 106284.4 |
