Detail Information
P450 Protein:
| P450 Symbol | CYP716AD4 |
| Protein Name | Cytochrome P450 family 716 subfamily AD polypeptide 4 (MaCYP716AD4) (EC 1.14.14.-) |
| Uniprot ID | P0DXH8 |
| EC Number | 1.14.14.- |
| Species | Melia azedarach (Chinaberry tree) |
| Txid | 155640 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
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| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C32H48O6 + C17H21N4O9P-2 + O2 → C28H40O5 + C4H7O2- + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Redox |
| Chemical Bond | |
| RheaID | 80351 |
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CYP716AD4
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Substrate Information:
| Substrate Name | (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate |
| Substrate Chemical Formula | C32H48O6 |
| Substrate PubChem CID | 171666187 |
| Substrate Smiles | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C(CC(C5C(O5)(C)C)O)CO)C)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 | (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-(1-hydroxy-4-oxobutan-2-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate |
| Product Chemical Formula | C28H40O5 |
| Product PubChem CID | 171666189 |
| Product Smiles | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C(CC=O)CO)C)C)(C)C |
| Product Structure |
| Product Name | 2-methylpropanoate |
| Product Chemical Formula | C4H7O2- |
| Product PubChem CID | 165337 |
| Product CAS Number | 5711-69-3 |
| Product Smiles | CC(C)C(=O)[O-] |
| Product Structure |
| Product Name | FMNH2 |
| 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: | Complex scaffold remodeling in plant triterpene biosynthesis. |
| PMID: | 36701471 |
| Journal: | Science (New York, N.Y.) |
| Year: | 2023/1/27 |