Detail Information
P450 Protein:
| P450 Symbol | CYP101A1 |
| Protein Name | Camphor 5-monooxygenase |
| Uniprot ID | P00183 |
| EC Number | 1.14.15.1 |
| Gene ID | 9617760 |
| Species | Pseudomonas putida |
| Txid | 303 |
| 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 | C10H16S → C10H16OS + C10H16OS |
| Reaction Type | Oxidation |
| Chemical Bond | S |
CYP101A1
+
Substrate Information:
| Substrate Name | (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione |
| Substrate Chemical Formula | C10H16S |
| Substrate PubChem CID | 1714210 |
| Substrate Smiles | C[C@@]12C(C)(C)[C@@](CC1=S)(CC2)[H] |
| Substrate Structure |
Product Information:
| Product Name | (1R,4R)-1,7,7-trimethyl-2-sulfinylbicyclo[2.2.1]heptane |
| Product Chemical Formula | C10H16OS |
| Product PubChem CID | 12859501 |
| Product CAS Number | 59121-52-7 |
| Product Smiles | C[C@@]12CC[C@@H](C1(C)C)CC2=S=O |
| Product Structure |
| Product Name | 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-6-thione |
| Product Chemical Formula | C10H16OS |
| Product Smiles | S=C1C2(CC(O)C(C2(C)C)C1)C |
| Product Structure |
References:
| Title: | Significance of Protein-Substrate Hydrogen Bonding for the Selectivity of P450-Catalysed Oxidations. |
| PMID: | 30645781 |
| Journal: | Chemistry - A European Journal |
| Year: | 2019/1/15 |