Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450 BM3 variant C12 |
| Uniprot ID | |
| Species | Priestia megaterium (strain ATCC 14581 / DSM 32 / CCUG 1817 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512 / Ford 19) |
| 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 |
| Remarks | Mutations versus WT:R47C;V78A;F87A;K94I;P142S;T175I;A184V;F205C;S226R;H236Q;E252G;R255S;A290V;L353V |
Reaction Scheme:
| Chemical Conversion | C12H16O2 → C12H16O3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| Solvents | Ethanol, Water |
| Conditions | 4 h, pH 8.0, rt |
CYP102A1
Substrate Information:
| Substrate Name | o-Tolylacetic acid propyl ester |
| Substrate Chemical Formula | C12H16O2 |
| Substrate PubChem CID | 25020814 |
| Substrate Smiles | CCCOC(=O)CC1=CC=CC=C1C |
| Substrate Structure |
Product Information:
| Product Name | (S)-Hydroxy-o-tolylacetic acid propyl ester |
| Product Chemical Formula | C12H16O3 |
| Product PubChem CID | 25020815 |
| Product CAS Number | 1009369-26-9 |
| Product Smiles | C1C(C)=C([C@H](O)C(=O)OCCC)C=CC=1 |
| Product Structure |
References:
| Title: | Chemo-enzymatic fluorination of unactivated organic compounds. |
| PMID: | 19011638 |
| Journal: | Nature Chemical Biology (2009) |
| Year: | 2008/11/16 |