Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450BM3 variant |
| 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 | C14H11Cl2NO2 → C14H11Cl2NO3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
CYP102A1
Substrate Information:
| Substrate Name | Diclofenac |
| Substrate Chemical Formula | C14H11Cl2NO2 |
| Substrate PubChem CID | 3033 |
| Substrate Smiles | C1C=C(Cl)C(NC2C(CC(=O)O)=CC=CC=2)=C(Cl)C=1 |
| Substrate Structure |
Product Information:
| Product Name | 5-Hydroxydiclofenac |
| Product Chemical Formula | C14H11Cl2NO3 |
| Product PubChem CID | 3052566 |
| Product Smiles | C1C=C(Cl)C(NC2C(CC(=O)O)=CC(O)=CC=2)=C(Cl)C=1 |
| Product Structure |
References:
| Title: | Drug Oxidation by Cytochrome P450BM3 : Metabolite Synthesis and Discovering New P450 Reaction Types. |
| PMID: | 26311271 |
| Journal: | Chemistry - A European Journal |
| Year: | 2015/8/27 |