Detail Information
P450 Protein:
| P450 Symbol | cyp167A1 |
| Protein Name | Epothilone C/D epoxidase |
| Uniprot ID | Q9KIZ4 |
| EC Number | 1.14.15.- |
| Species | Sorangium cellulosum (Polyangium cellulosum) |
| Txid | 56 |
| 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 | C27H41NO5S + Fe2S2 + O2 + H+ → C27H41NO6S + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | C-CH |
| RheaID | 47808 |
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cyp167A1
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Substrate Information:
| Substrate Name | Epothilone D |
| Substrate Chemical Formula | C27H41NO5S |
| Substrate PubChem CID | 447865 |
| Substrate Smiles | C[C@H]1CCC/C(=CC[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/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 | Epothilone B |
| Product Chemical Formula | C27H41NO6S |
| Product PubChem CID | 448013 |
| Product Smiles | C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/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: | Isolation and characterization of the epothilone biosynthetic gene cluster from Sorangium cellulosum. |
| PMID: | 10831849 |
| Journal: | Gene |
| Year: | 2000/5/16 |