Detail Information
P450 Protein:
| P450 Symbol | CYP176A1 |
| Protein Name | P450cin N242A |
| Uniprot ID | |
| 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 | C10H18O → C10H18O2 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
CYP176A1
Substrate Information:
| Substrate Name | 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane |
| Substrate Chemical Formula | C10H18O |
| Substrate PubChem CID | 2758 |
| Substrate Smiles | CC1(C2CCC(O1)(CC2)C)C |
| Substrate Structure |
Product Information:
| Product Name | 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol |
| Product Chemical Formula | C10H18O2 |
| Product PubChem CID | 529885 |
| Product CAS Number | 18679-48-6 |
| Product Smiles | CC1(C2CCC(O1)(C(C2)O)C)C |
| Product Structure |
References:
| Title: | The critical role of substrate-protein hydrogen bonding in the control of regioselective hydroxylation in p450cin. |
| PMID: | 18270198 |
| Journal: | J Biol Chem |
| Year: | 2008/4/18 |