Detail Information
P450 Protein:
| P450 Symbol | ptlI |
| Protein Name | Pentalenene oxygenase |
| Uniprot ID | Q82IY3 |
| EC Number | 1.14.15.32 |
| Species | Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NBRC 14893 / NCIMB 12804 / NRRL 8165 / MA-4680) |
| Txid | 227882 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C15H24 + Fe2S2 + O2 + H+ → C15H22O + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH3 |
| RheaID | 31699 |
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ptlI
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Substrate Information:
| Substrate Name | Pentalenene |
| Substrate Chemical Formula | C15H24 |
| Substrate PubChem CID | 11009055 |
| Substrate Smiles | C[C@@H]1CC[C@@H]2[C@]13CC(C[C@H]3C=C2C)(C)C |
| Substrate Structure |
| Substrate Name | [2Fe-2S]1+ |
| Substrate Chemical Formula | Fe2S2 |
| Substrate Smiles | S1[Fe]S[Fe+]1 |
| Substrate Structure |
| Substrate Name | O2 |
| Substrate Chemical Formula | O2 |
| Substrate PubChem CID | 977 |
| Substrate CAS Number | 7782-44-7 |
| Substrate Smiles | O=O |
| Substrate Structure |
| Substrate Name | H+ |
| Substrate Chemical Formula | H+ |
| Substrate PubChem CID | 1038 |
| Substrate CAS Number | 12408-02-5 |
| Substrate Smiles | [H+] |
| Substrate Structure |
Product Information:
| Product Name | Pentalen-13-Al |
| Product Chemical Formula | C15H22O |
| Product PubChem CID | 56927808 |
| Product Smiles | C[C@@H]1CC[C@@H]2[C@]13CC(C[C@H]3C=C2C=O)(C)C |
| Product Structure |
| Product Name | [2Fe-2S]2+ |
| Product Chemical Formula | Fe2S2 |
| Product Smiles | S1[Fe+]S[Fe+]1 |
| Product Structure |
| Product Name | H2O |
| Product Chemical Formula | H2O |
| Product PubChem CID | 962 |
| Product CAS Number | 7732-18-5 |
| Product Smiles | O |
| Product Structure |
References:
| Title: | Pentalenolactone biosynthesis. Molecular cloning and assignment of biochemical function to PtlI, a cytochrome P450 of Streptomyces avermitilis. |
| PMID: | 17017767 |
| Journal: | Journal of the American Chemical Society |
| Year: | 2006/10/11 |