Detail Information
P450 Protein:
| P450 Symbol | |
| Protein Name | CYP101 F87W–Y96F–F98W mutant |
| Uniprot ID | |
| 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 | C6HCl5 → C6HCl5O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Ethanol, Water |
| Conditions | 2 min, pH 7.4, 30°C |
Substrate Information:
| Substrate Name | Pentachlorobenzene |
| Substrate Chemical Formula | C6HCl5 |
| Substrate PubChem CID | 11855 |
| Substrate CAS Number | 608-93-5 |
| Substrate Smiles | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| Substrate Structure |
Product Information:
| Product Name | Pentachlorophenol |
| Product Chemical Formula | C6HCl5O |
| Product PubChem CID | 992 |
| Product CAS Number | 87-86-5 |
| Product Smiles | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| Product Structure |
References:
| Title: | Oxidation of polychlorinated benzenes by genetically engineered CYP101 (cytochrome P450(cam)). |
| PMID: | 11231299 |
| Journal: | Chemical Communications (Cambridge) (2000) |
| Year: | 2002/4/5 |