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 | |
| Protein Sequence | GO |
| Remarks | Mutations versus WT: A74G/F87V/L188Q |
Reaction Scheme:
| Chemical Conversion | C16H32O2 → C16H32O3 + C16H32O3 + C16H32O3 + C16H32O3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | pH 8, 25°C |
| Transformations | 1. Hydroxylation at an Aliphatic Carbon |
CYP102A1
+
+
+
Substrate Information:
| Substrate Name | Palmitic acid |
| Substrate Chemical Formula | C16H32O2 |
| Substrate PubChem CID | 985 |
| Substrate Smiles | CCCCCCCCCCCCCCCC(=O)O |
| Substrate Structure |
Product Information:
| Product Name | 13-Hydroxyhexadecanoic acid |
| Product Chemical Formula | C16H32O3 |
| Product PubChem CID | 15569769 |
| Product CAS Number | 59642-39-6 |
| Product Smiles | CCCC(CCCCCCCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 14-Hydroxyhexadecanoic acid |
| Product Chemical Formula | C16H32O3 |
| Product PubChem CID | 5282905 |
| Product CAS Number | 59642-38-5 |
| Product Smiles | CCC(CCCCCCCCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 15-Hydroxyhexadecanoic acid |
| Product Chemical Formula | C16H32O3 |
| Product PubChem CID | 5312759 |
| Product CAS Number | 4552-17-4 |
| Product Smiles | CC(CCCCCCCCCCCCCC(=O)O)O |
| Product Structure |
| Product Name | 16-Hydroxyhexadecanoic acid |
| Product Chemical Formula | C16H32O3 |
| Product PubChem CID | 10466 |
| Product CAS Number | 506-13-8 |
| Product Smiles | C(CCCCCCCC(=O)O)CCCCCCCO |
| Product Structure |
References:
| Title: | Enzymic oxidation of linear alkanes to alcohols with modified monooxygenases |
| Patent ID: | WO2006105082 |
| Journal: | World Intellectual Property Organization |
| Year: | 2006/10/5 |