Detail Information
P450 Protein:
| P450 Symbol | |
| Protein Name | PikC D50N Variant |
| Uniprot ID | |
| Species | Streptomyces venezuelae (strain ATCC 10712 / CBS 650.69 / DSM 40230 / JCM 4526 / NBRC 13096 / PD 04745) |
| Txid | 54571 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | Mutations versus WT:D50N |
Reaction Scheme:
| Chemical Conversion | C25H43NO6 + Fe2S2 + O2 + H+ → C25H43NO7 + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| Solvents | Water |
| Conditions | 40 min, pH 7.3, 30°C |
| Transformations | 1. Hydroxylation at an Aliphatic Carbon |
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Substrate Information:
| Substrate Name | 10-Deoxymethymycin |
| Substrate Chemical Formula | C25H43NO6 |
| Substrate PubChem CID | 5282032 |
| Substrate Smiles | CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C |
| 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 | Neomethymycin |
| Product Chemical Formula | C25H43NO7 |
| Product PubChem CID | 5282033 |
| Product CAS Number | 497-73-4 |
| Product Smiles | C[C@H]1C[C@H](C(=O)/C=C/[C@H]([C@H](OC(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)[C@@H](C)O)C)C |
| 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: | Analysis of transient and catalytic desosamine-binding pockets in cytochrome P-450 PikC from Streptomyces venezuelae. |
| PMID: | 19124459 |
| Journal: | Journal of Biological Chemistry (2009) |
| Year: | 2009/1/4 |