Detail Information
P450 Protein:
| P450 Symbol | CYP176A1 |
| Protein Name | 1,8-cineole 2-endo-monooxygenase |
| Uniprot ID | Q8VQF6 |
| EC Number | 1.14.14.133 |
| Species | Citrobacter braakii |
| Txid | 57706 |
| 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 | C11H20 → C11H20O + C11H20O + C11H20O + C11H20O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
CYP176A1
+
+
+
Substrate Information:
| Substrate Name | 1,3,3-trimethylbicyclo[2.2.2]octane |
| Substrate Chemical Formula | C11H20 |
| Substrate PubChem CID | 15775266 |
| Substrate Smiles | CC1(CC2(CCC1CC2)C)C |
| Substrate Structure |
Product Information:
| Product Name | 1,3,3-trimethylbicyclo[2.2.2]octan-4-ol |
| Product Chemical Formula | C11H20O |
| Product Smiles | CC12CCC(O)(CC1)C(C)(C)C2 |
| Product Structure |
| Product Name | 4,6,6-trimethylbicyclo[2.2.2]octan-2-ol |
| Product Chemical Formula | C11H20O |
| Product PubChem CID | 73822228 |
| Product Smiles | CC1(CC2(CCC1C(C2)O)C)C |
| Product Structure |
| Product Name | 1,5,5-trimethylbicyclo[2.2.2]octan-2-ol |
| Product Chemical Formula | C11H20O |
| Product Smiles | CC12CCC(CC1O)C(C)(C)C2 |
| Product Structure |
| Product Name | (3,3-dimethyl-1-bicyclo[2.2.2]octanyl)methanol |
| Product Chemical Formula | C11H20O |
| Product PubChem CID | 129517192 |
| Product Smiles | CC1(CC2(CCC1CC2)CO)C |
| Product Structure |
References:
| Title: | Oxygen activation by P450(cin): Protein and substrate mutagenesis. |
| PMID: | 20851096 |
| Journal: | Arch Biochem Biophys |
| Year: | 2011/3/1 |