Detail Information
P450 Protein:
| P450 Symbol | CYP71BA1 |
| Protein Name | Alpha-humulene 10-hydroxylase |
| Uniprot ID | E3W9C4 |
| EC Number | 1.14.14.113 |
| Species | Zingiber zerumbet (Shampoo ginger) (Amomum zerumbet) |
| Txid | 311405 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Endoplasmic reticulum membrane; Single-pass type II membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C15H24 + C17H21N4O9P-2 + O2 → C15H24O + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 32491 |
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CYP71BA1
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Substrate Information:
| Substrate Name | (1E,4E,8E)-Alpha-Humulene |
| Substrate Chemical Formula | C15H24 |
| Substrate PubChem CID | 5281520 |
| Substrate Smiles | C/C/1=CCC(/C=C/C/C(=C/CC1)/C)(C)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 | 10-Hydroxy-Alpha-Humulene |
| Product Chemical Formula | C15H24O |
| Product PubChem CID | 12445034 |
| Product Smiles | C/C/1=CCC(/C=C/C(/C(=C/CC1)/C)O)(C)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: | Zingiber zerumbet CYP71BA1 catalyzes the conversion of α-humulene to 8-hydroxy-α-humulene in zerumbone biosynthesis. |
| PMID: | 20730551 |
| Journal: | Cellular and molecular life sciences : CMLS |
| Year: | 2011/3/1 |