9WMC
Crystal structure of a P450 BM3 heme domain mutant in complex with Alpha-Zearalanol
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, J (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, K (A, B) | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one | non-polymer | 320.4 | 2 | Chemie (36J) | |||
| 4 | E, F, G, L (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) PubChem (8117) | |||
| 5 | H, I, N, O (A, B) | NICKEL (II) ION | non-polymer | 58.7 | 4 | Chemie (NI) PubChem (934) | |||
| 6 | M (B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) PubChem (3777159) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 624 | 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 | 13 |
| Total formula weight | 2655.1 | |
| All* | Total formula weight | 106947.7 |
