Detail Information
P450 Protein:
| P450 Symbol | daf-9 |
| Protein Name | 3-ketosteroid oxygenase |
| Uniprot ID | H2KYS3 |
| EC Number | 1.14.14.- |
| Gene ID | 180889 |
| Species | Caenorhabditis elegans |
| Txid | 6239 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Multi-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C27H44O + C17H21N4O9P-2 + O2 → C27H41O3- + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH3 |
| RheaID | 66624 |
+
+
daf-9
+
+
+
Substrate Information:
| Substrate Name | Cholest-4-en-3-one |
| Substrate Chemical Formula | C27H44O |
| Substrate PubChem CID | 91477 |
| Substrate Smiles | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| Substrate Structure |
| Substrate Name | FMNH2 |
| Substrate Chemical Formula | C17H21N4O9P-2 |
| Substrate PubChem CID | 44229161 |
| Substrate Smiles | CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| 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 |
Product Information:
| Product Name | (25S)-3-oxocholest-4-en-26-oate |
| Product Chemical Formula | C27H41O3- |
| Product PubChem CID | 70698394 |
| Product Smiles | C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| Product Structure |
| Product Name | FMN |
| Product Chemical Formula | C17H18N4O9P-3 |
| Product PubChem CID | 44229199 |
| Product Smiles | CC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| Product Structure |
| Product Name | H2O |
| Product Chemical Formula | H2O |
| Product PubChem CID | 962 |
| Product CAS Number | 7732-18-5 |
| Product Smiles | O |
| Product Structure |
| Product Name | H+ |
| Product Chemical Formula | H+ |
| Product PubChem CID | 1038 |
| Product CAS Number | 12408-02-5 |
| Product Smiles | [H+] |
| Product Structure |
References:
| Title: | Identification of ligands for DAF-12 that govern dauer formation and reproduction in C. elegans. |
| PMID: | 16529801 |
| Journal: | Cell |
| Year: | 2006/3/24 |