Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450BM3 A74G/F87V/L188Q triple mutant |
| 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 | Cytoplasm |
| Protein Sequence | GO |
| Remarks | Mutations versus WT: A74G/F87V/L188Q |
Reaction Scheme:
| Chemical Conversion | C12H24O2 → C12H24O3 + C12H24O3 + C12H24O3 + C12H24O3 + C12H24O3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | 48 h, pH 7.5, rt |
| Transformations | 1. Hydroxylation at an Aliphatic Carbon |
CYP102A1
+
+
+
+
Substrate Information:
| Substrate Name | Lauric acid |
| Substrate Chemical Formula | C12H24O2 |
| Substrate PubChem CID | 3893 |
| Substrate Smiles | CCCCCCCCCCCC(=O)O |
| Substrate Structure |
Product Information:
| Product Name | 9-Hydroxydodecanoic acid |
| Product Chemical Formula | C12H24O3 |
| Product PubChem CID | 5312744 |
| Product CAS Number | 68490-89-1 |
| Product Smiles | CCCC(CCCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 11-Hydroxydodecanoic acid |
| Product Chemical Formula | C12H24O3 |
| Product PubChem CID | 169433 |
| Product CAS Number | 32459-66-8 |
| Product Smiles | CC(CCCCCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 8-Hydroxydodecanoic acid |
| Product Chemical Formula | C12H24O3 |
| Product PubChem CID | 14454530 |
| Product CAS Number | 16899-09-5 |
| Product Smiles | CCCCC(CCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 10-Hydroxydodecanoic acid |
| Product Chemical Formula | C12H24O3 |
| Product PubChem CID | 10176767 |
| Product CAS Number | 14202-03-0 |
| Product Smiles | CCC(CCCCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 12-Hydroxydodecanoic acid |
| Product Chemical Formula | C12H24O3 |
| Product PubChem CID | 79034 |
| Product CAS Number | 505-95-3 |
| Product Smiles | C(CCCCCC(=O)O)CCCCCO |
| Product Structure |
References:
| Title: | Hydroxylation of dodecanoic acid and (2R,4R,6R,8R)-tetramethyldecanol on a preparative scale using an NADH-dependent CYP102A1 mutant |
| DOI: | https://doi.org/10.1002/adsc.200700054 |
| Journal: | Advanced Synthesis & Catalysis (2007) |
| Year: | 2007/6/4 |