Detail Information
P450 Protein:
| P450 Symbol | CYP71BL2 |
| Protein Name | Costunolide synthase |
| Uniprot ID | F8S1I0 |
| EC Number | 1.14.14.150 |
| Species | Lactuca sativa (Garden lettuce) |
| Txid | 4236 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Single-pass type II membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C15H21O2- + C17H21N4O9P-2 + O2 → C15H20O2 + C17H18N4O9P-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH2;Carboxyl |
| RheaID | 28230 |
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CYP71BL2
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Substrate Information:
| Substrate Name | Germacra-1(10),4,11(13)-Trien-12-Oate |
| Substrate Chemical Formula | C15H21O2- |
| Substrate PubChem CID | 25245824 |
| Substrate Smiles | C/C/1=CCC/C(=C/C[C@@H](CC1)C(=C)C(=O)[O-])/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 | Costunolide |
| Product Chemical Formula | C15H20O2 |
| Product PubChem CID | 5281437 |
| Product Smiles | C/C/1=CCC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/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 |
References:
| Title: | Lettuce costunolide synthase (CYP71BL2) and its homolog (CYP71BL1) from sunflower catalyze distinct regio- and stereoselective hydroxylations in sesquiterpene lactone metabolism. |
| PMID: | 21515683 |
| Journal: | The Journal of biological chemistry |
| Year: | 2011/6/17 |