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 + Methyl (2R,4R,6S,8S)-10-hydroxy-2,4,6,8-tetramethylundecanoate |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Dimethyl sulfoxide, Water |
| Conditions | pH 7.5, rt |
| Transformations | 1. Hydroxylation at an Aliphatic Carbon |
CYP102A1
+
Substrate Information:
| Substrate Name | Methyl (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanoate |
| Substrate Chemical Formula | C16H32O2 |
| Substrate PubChem CID | 10879717 |
| Substrate Smiles | O=C(OC)C(C)CC(C)CC(C)CC(C)CCC |
| Substrate Structure |
Product Information:
| Product Name | Methyl (2R,4R,6S,8S)-9-hydroxy-2,4,6,8-tetramethylundecanoate |
| Product Chemical Formula | C16H32O3 |
| Product CAS Number | 911819-54-0 |
| Product Smiles | O=C(OC)C(C)CC(C)CC(C)CC(C)C(O)CC |
| Product Structure |
| Product Name | Methyl (2R,4R,6S,8S)-10-hydroxy-2,4,6,8-tetramethylundecanoate |
| Product Structure |
|
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References:
| Title: | Selective hydroxylation of highly branched fatty acids and their derivatives by CYP102A1 from Bacillus megaterium. |
| PMID: | 16566047 |
| Journal: | ChemBioChem (2006) |
| Year: | 2006/4/26 |