Detail Information
P450 Protein:
| P450 Symbol | CYP85A1 |
| Protein Name | Cytochrome P450 85A1 (BdCYP85A1) (3-dehydroteasterone synthase) (EC 1.14.14.-) (Castasterone synthase) (EC 1.14.14.-) (Teasterone synthase) (EC 1.14.14.-) (Typhasterol synthase) (EC 1.14.14.-) |
| Uniprot ID | I1GQE7 |
| EC Number | 1.14.14.- |
| Gene ID | 100837653 |
| Species | Brachypodium distachyon (Purple false brome) (Trachynia distachya) |
| Txid | 15368 |
| 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 | C28H50O3 + C17H21N4O9P-2 + O2 → C28H48O4 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 70043 |
+
+
CYP85A1
+
+
+
Substrate Information:
| Substrate Name | 6-deoxoteasterone |
| Substrate Chemical Formula | C28H50O3 |
| Substrate PubChem CID | 11144580 |
| Substrate Smiles | CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O |
| 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 | teasterone |
| Product Chemical Formula | C28H48O4 |
| Product PubChem CID | 13475125 |
| Product Smiles | CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O |
| 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: | Genome sequencing and analysis of the model grass Brachypodium distachyon. |
| PMID: | 20148030 |
| Journal: | Nature |
| Year: | 2010/2/11 |
| Title: | Establishment of Biosynthetic Pathways To Generate Castasterone as the Biologically Active Brassinosteroid in Brachypodium distachyon. |
| PMID: | 32146811 |
| Journal: | Journal of agricultural and food chemistry |
| Year: | 2020/4/1 |