Detail Information
P450 Protein:
| P450 Symbol | CYP53A15 |
| Protein Name | Benzoate para-hydroxylase |
| Uniprot ID | B8QM33 |
| EC Number | 1.14.13.12 |
| Species | Cochliobolus lunatus (Filamentous fungus) (Curvularia lunata) |
| Txid | 5503 |
| 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 | C7H5O2- + C17H21N4O9P-2 + O2 → C7H6O3 + C17H18N4O9P-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
+
+
CYP53A15
+
+
Substrate Information:
| Substrate Name | Benzoate |
| Substrate Chemical Formula | C7H5O2- |
| Substrate PubChem CID | 242 |
| Substrate Smiles | C1=CC=C(C=C1)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 | 4-HYDROXYBENZOIC ACID |
| Product Chemical Formula | C7H6O3 |
| Product PubChem CID | 135 |
| Product Smiles | C1=CC(=CC=C1C(=O)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 |
References:
| Title: | CYP53A15 of Cochliobolus lunatus, a target for natural antifungal compounds. |
| PMID: | 18505250 |
| Journal: | Journal of medicinal chemistry |
| Year: | 2008/6/26 |