Detail Information
P450 Protein:
| P450 Symbol | phacB |
| Protein Name | 3-hydroxyphenylacetate 6-hydroxylase |
| Uniprot ID | Q078T0 |
| EC Number | 1.14.13.63 |
| Species | Emericella nidulans (Aspergillus nidulans) |
| Txid | 162425 |
| 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 | C8H8O4 + C21H27N7O14P2-2 + O2 + H+ → C8H7O5- + C21H26N7O14P2- + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 54088 |
+
+
+
phacB
+
+
Substrate Information:
| Substrate Name | 3,4-Dihydroxyphenylacetate |
| Substrate Chemical Formula | C8H8O4 |
| Substrate PubChem CID | 547 |
| Substrate Smiles | C1=CC(=C(C=C1CC(=O)O)O)O |
| Substrate Structure |
| Substrate Name | NADH |
| Substrate Chemical Formula | C21H27N7O14P2-2 |
| Substrate PubChem CID | 21604869 |
| 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)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 | 2,4,5-Trihydroxyphenylacetate |
| Product Chemical Formula | C8H7O5- |
| Product PubChem CID | 129626790 |
| Product Smiles | C1=C(C(=CC(=C1O)O)O)CC(=O)[O-] |
| Product Structure |
| Product Name | NAD+ |
| Product Chemical Formula | C21H26N7O14P2- |
| Product PubChem CID | 15938971 |
| 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)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: | Disruption of phacA, an Aspergillus nidulans gene encoding a novel cytochrome P450 monooxygenase catalyzing phenylacetate 2-hydroxylation, results in penicillin overproduction. |
| PMID: | 10329644 |
| Journal: | The Journal of biological chemistry |
| Year: | 1999/5/21 |
| Title: | Novel phacB-encoded cytochrome P450 monooxygenase from Aspergillus nidulans with 3-hydroxyphenylacetate 6-hydroxylase and 3,4-dihydroxyphenylacetate 6-hydroxylase activities. |
| PMID: | 17189487 |
| Journal: | Eukaryotic cell |
| Year: | 2007/3/1 |