Detail Information
P450 Protein:
| P450 Symbol | CYP101A1 |
| Protein Name | Camphor 5-monooxygenase |
| Uniprot ID | P00183 |
| EC Number | 1.14.15.1 |
| Gene ID | 9617760 |
| Species | Pseudomonas putida |
| Txid | 303 |
| 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 | C10H16O → C10H16O2 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Transformations | Hydroxylation at an Aliphatic Carbon |
CYP101A1
Substrate Information:
| Substrate Name | (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
| Substrate Chemical Formula | C10H16O |
| Substrate PubChem CID | 159055 |
| Substrate Smiles | C[C@@]12CC[C@@H](C1(C)C)CC2=O |
| Substrate Structure |
Product Information:
| Product Name | 5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
| Product Chemical Formula | C10H16O2 |
| Product PubChem CID | 440017 |
| Product CAS Number | 22285-79-6 |
| Product Smiles | CC1(C2CC(=O)C1(CC2O)C)C |
| Product Structure |
References:
| Title: | Regression Modeling for the Prediction of Hydrogen Atom Transfer Barriers in Cytochrome P450 from Semi‐empirically Derived Descriptors |
| DOI: | https://doi.org/10.1002/cmtd.202100108 |
| Journal: | Chemistry: Methods |
| Year: | 2022/5/17 |