Detail Information
P450 Protein:
| P450 Symbol | CYP106A2 |
| Protein Name | Cytochrome P450(MEG) |
| Uniprot ID | Q06069 |
| EC Number | 1.14.15.8; 1.14.99.- |
| Species | Bacillus megaterium |
| Txid | 1404 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Cytoplasm |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C21H30O2 + Fe4S4 + O2 + H+ → C21H30O3 + Fe4S4 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 27337 |
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CYP106A2
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Substrate Information:
| Substrate Name | Progesterone |
| Substrate Chemical Formula | C21H30O2 |
| Substrate PubChem CID | 5994 |
| Substrate Smiles | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| Substrate Structure |
| Substrate Name | [4Fe-4S]1+ cluster |
| Substrate Chemical Formula | Fe4S4 |
| Substrate Smiles | [S]12[Fe]3[S]4[Fe]1[S]1[Fe]2[S]3[Fe+]41 |
| 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 | 15Beta-Hydroxyprogesterone |
| Product Chemical Formula | C21H30O3 |
| Product PubChem CID | 23239834 |
| Product Smiles | CC(=O)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| Product Structure |
| Product Name | [4Fe-4S]2+ cluster |
| Product Chemical Formula | Fe4S4 |
| Product Smiles | [S]12[Fe]3[S]4[Fe]1[S]1[Fe+]2[S]3[Fe+]41 |
| 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: | Identification of monohydroxy progesterones produced by CYP106A2 using comparative HPLC and electrospray ionisation collision-induced dissociation mass spectrometry. |
| PMID: | 15178459 |
| Journal: | Biochemical and biophysical research communications |
| Year: | 2004/6/25 |
| Title: | Theoretical and experimental evaluation of a CYP106A2 low homology model and production of mutants with changed activity and selectivity of hydroxylation. |
| PMID: | 18481342 |
| Journal: | Chembiochem : a European journal of chemical biology |
| Year: | 2008/6/16 |