Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | Bifunctional cytochrome P450/NADPH--P450 reductase |
| Uniprot ID | P14779 |
| EC Number | 1.14.14.1 |
| Gene ID | 93643681 |
| 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 | C14H22N2O → C14H20N2O + C12H18N2O |
| Reaction Type | Oxidation |
| Chemical Bond | NH;CH;N-C |
| Solvents | Ethanol;Water |
| Conditions | 2 h, pH 8.5, rt |
| Transformations | N-Dealkylation of Amines, Amides and Sulfoamides |
CYP102A1
+
Substrate Information:
| Substrate Name | Lidocaine |
| Substrate Chemical Formula | C14H22N2O |
| Substrate PubChem CID | 3676 |
| Substrate Smiles | O=C(NC=1C(=CC=CC1C)C)CN(CC)CC |
| Substrate Structure |
Product Information:
| Product Name | 3-(2,6-Dimethylphenyl)-1-ethyl-2-methyl-4-imidazolidinone |
| Product Chemical Formula | C14H20N2O |
| Product PubChem CID | 3082362 |
| Product CAS Number | 32845-42-4 |
| Product Smiles | O=C1N(C=2C(=CC=CC2C)C)C(N(C1)CC)C |
| Product Structure |
| Product Name | Monoethylglycinexylidide |
| Product Chemical Formula | C12H18N2O |
| Product CAS Number | 7728-40-7 |
| Product Smiles | O=C(NC=1C(=CC=CC1C)C)CNCC |
| 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 |