Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450BM3 variant 1857 R47C K94I V328A |
| Uniprot ID | |
| Species | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512) |
| 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 |
Reaction Scheme:
| Chemical Conversion | C20H36O2 → C20H36O3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| Conditions | 20 h, 20°C |
| Transformations | Hydroxylation at an Aliphatic Carbon |
CYP102A1
Substrate Information:
| Substrate Name | Sclareol |
| Substrate Chemical Formula | C20H36O2 |
| Substrate PubChem CID | 163263 |
| Substrate Smiles | C1C[C@@](C)2[C@](CC[C@@](C)(O)C=C)([H])[C@](C)(O)CC[C@@]2([H])[C@@](C)(C)C1 |
| Substrate Structure |
Product Information:
| Product Name | 3-Hydroxysclareol |
| Product Chemical Formula | C20H36O3 |
| Product PubChem CID | 195728 |
| Product Smiles | C1C[C@@](C)2[C@](CC[C@@](C)(O)C=C)([H])[C@](C)(O)CC[C@@]2([H])[C@@](C)(C)[C@H]1O |
| Product Structure |
References:
| Title: | Merging chemoenzymatic and radical-based retrosynthetic logic for rapid and modular synthesis of oxidized meroterpenoids. |
| PMID: | 31959962 |
| Journal: | Nature Chemistry |
| Year: | 2020/1/20 |