Detail Information
P450 Protein:
| P450 Symbol | CYP153A7 |
| Protein Name | P450pyrSM1 |
| Uniprot ID | |
| Species | Sphingopyxis macrogoltabida |
| Txid | 33050 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | This reaction was catalyzed by P450pyrSM1, an engineered sextuple mutant of P450pyr hydroxylase generated by directed evolution. The mutant contains the substitutions A77Q, I83F, N100S, T186I, L302V, and F403I. |
Reaction Scheme:
| Chemical Conversion | C8H18 → C8H18O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | 4 h, 30°C |
| Transformations | Hydroxylation at an Aliphatic Carbon |
CYP153A7
Substrate Information:
| Substrate Name | Octane |
| Substrate Chemical Formula | C8H18 |
| Substrate PubChem CID | 356 |
| Substrate Smiles | CCCCCCCC |
| Substrate Structure |
Product Information:
| Product Name | (+)-2-Octanol |
| Product Chemical Formula | C8H18O |
| Product PubChem CID | 2723888 |
| Product CAS Number | 1559381 |
| Product Smiles | C(C[C@H](C)O)CCCC |
| Product Structure |
References:
| Title: | Engineering of p450pyr hydroxylase for the highly regio- and enantioselective subterminal hydroxylation of alkanes. |
| PMID: | 24554642 |
| Journal: | Angewandte Chemie, International Edition |
| Year: | 2014/2/19 |