Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450 BM3 R47L/Y51F/F87V triple mutant |
| Uniprot ID | |
| Species | Priestia megaterium (strain ATCC 14581 / DSM 32 / CCUG 1817 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512 / Ford 19) |
| Txid | 1348623 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | Mutations versus WT: R47L/Y51F/F87V |
Reaction Scheme:
| Chemical Conversion | C13H20O → C13H20O2 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Conditions | 10 min, rt; rt |
| Transformations | 1. Hydroxylation at an Aliphatic Carbon |
CYP102A1
Substrate Information:
| Substrate Name | Beta-Ionone |
| Substrate Chemical Formula | C13H20O |
| Substrate PubChem CID | 638014 |
| Substrate Smiles | CC1=C(C(CCC1)(C)C)C=CC(=O)C |
| Substrate Structure |
Product Information:
| Product Name | (3E)-4-[(3R)-3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one |
| Product Chemical Formula | C13H20O2 |
| Product PubChem CID | 10954777 |
| Product CAS Number | 71629-13-5 |
| Product Smiles | O=C(C=CC1=C(C)C(O)CCC1(C)C)C |
| Product Structure |
References:
| Title: | Biotransformation of beta-ionone by engineered cytochrome P450 BM-3. |
| PMID: | 16001257 |
| Journal: | Applied Microbiology and Biotechnology (2006) |
| Year: | 2005/7/7 |