Detail Information
P450 Protein:
| P450 Symbol | okaD |
| Protein Name | Cytochrome P450 monooxygenase okaD (EC 1.14.99.-) (Okaramines biosynthesis cluster protein D) |
| Uniprot ID | A0A2Z5U6I9 |
| EC Number | 1.14.99.- |
| Species | Penicillium ochrochloron |
| Txid | 69780 |
| 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 | C32H36N4O3 + C17H21N4O9P-2 + O2 → C32H32N4O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 82703 |
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okaD
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Substrate Information:
| Substrate Name | okaramine C |
| Substrate Chemical Formula | C32H36N4O3 |
| Substrate PubChem CID | 56843210 |
| Substrate Smiles | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3C(=O)N4C(CC5(C4N(C6=CC=CC=C65)C(C)(C)C=C)O)C(=O)N3 |
| 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 | okaramine A |
| Product Chemical Formula | C32H32N4O3 |
| Product PubChem CID | 5387493 |
| Product Smiles | CC1(C=CN2C(=CC3=C1NC4=CC=CC=C43)C(=O)N5C(C2=O)CC6(C5N(C7=CC=CC=C76)C(C)(C)C=C)O)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: | Biosynthesis and Structure-Activity Relationship Studies of Okaramines That Target Insect Glutamate-Gated Chloride Channels. |
| PMID: | 29384650 |
| Journal: | ACS chemical biology |
| Year: | 2018/3/16 |
| Title: | Biosynthesis of Complex Indole Alkaloids: Elucidation of the Concise Pathway of Okaramines. |
| PMID: | 28631282 |
| Journal: | Angewandte Chemie (International ed. in English) |
| Year: | 2017/8/1 |