P450 Protein:
| P450 Symbol | ncsB3 |
| Protein Name | 2-hydroxy-5-methyl-1-naphthoate 7-hydroxylase |
| Uniprot ID | Q84HB6 |
| EC Number | 1.14.15.31 |
| Species | Streptomyces carzinostaticus |
| Txid | 1897 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C12H9O3- + Fe2S2 + O2 + H+ → C12H9O4- + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 42828 |
ncsB3
Substrate Information:
| Substrate Name | 2-Hydroxy-5-Methyl-1-Naphthoate |
| Substrate Chemical Formula | C12H9O3- |
| Substrate PubChem CID | 86289942 |
| Substrate Smiles | CC1=C2C=CC(=C(C2=CC=C1)C(=O)O)[O-] |
| Substrate Structure |
| Substrate Name | [2Fe-2S]1+ |
| Substrate Chemical Formula | Fe2S2 |
| Substrate Smiles | S1[Fe]S[Fe+]1 |
| 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 | 2,7-Dihydroxy-5-Methyl-1-Naphthoate |
| Product Chemical Formula | C12H9O4- |
| Product PubChem CID | 86289503 |
| Product Smiles | CC1=CC(=CC2=C1C=CC(=C2C(=O)O)[O-])O |
| Product Structure |
| Product Name | [2Fe-2S]2+ |
| Product Chemical Formula | Fe2S2 |
| Product Smiles | S1[Fe+]S[Fe+]1 |
| 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: | In vivo characterization of NcsB3 to establish the complete biosynthesis of the naphthoic acid moiety of the neocarzinostatin chromophore. |
| PMID: | 20735485 |
| Journal: | FEMS microbiology letters |
| Year: | 2010/10/1 |