Detail Information
P450 Protein:
| P450 Symbol | aziB1 |
| Protein Name | 5-methyl-1-naphthoate 3-hydroxylase |
| Uniprot ID | B4XY99 |
| EC Number | 1.14.13.189 |
| Species | Streptomyces sahachiroi |
| Txid | 285525 |
| 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 | C12H9O2- + C21H26N7O17P3-4 + O2 + H+ → C12H9O3- + C21H25N7O17P3-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 41452 |
+
+
+
aziB1
+
+
Substrate Information:
| Substrate Name | 5-Methyl-1-Naphthoate |
| Substrate Chemical Formula | C12H9O2- |
| Substrate PubChem CID | 86289484 |
| Substrate Smiles | CC1=C2C=CC=C(C2=CC=C1)C(=O)[O-] |
| Substrate Structure |
| Substrate Name | NADPH(4-) |
| Substrate Chemical Formula | C21H26N7O17P3-4 |
| Substrate PubChem CID | 15983949 |
| Substrate Smiles | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=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 |
| Substrate Name | H+ |
| Substrate Chemical Formula | H+ |
| Substrate PubChem CID | 1038 |
| Substrate CAS Number | 12408-02-5 |
| Substrate Smiles | [H+] |
| Substrate Structure |
Product Information:
| Product Name | 3-Hydroxy-5-Methyl-1-Naphthoate |
| Product Chemical Formula | C12H9O3- |
| Product PubChem CID | 86289485 |
| Product Smiles | CC1=C2C=C(C=C(C2=CC=C1)C(=O)O)[O-] |
| Product Structure |
| Product Name | NADP+ |
| Product Chemical Formula | C21H25N7O17P3-3 |
| Product PubChem CID | 162422398 |
| Product Smiles | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)([O-])[O-])O)O)C(=O)N |
| 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: | Biosynthesis of 3-methoxy-5-methyl naphthoic acid and its incorporation into the antitumor antibiotic azinomycin B. |
| PMID: | 20485749 |
| Journal: | Molecular bioSystems |
| Year: | 2010/6/1 |