Non-natural sidechain SwissSidechain - SME
3D view
| Name | Methionine sulfoxide |
| Molecular Weight [g/mol] | 166.22 |
| logP | -3.91 (predicted) |
| Sidechain logP | 0.77 (predicted) |
| Volume [Å3 ] | 183.87 |
| Sidechain Volume [Å3 ] | 98.21 |
| pKa | 1.74 / 9.51 (predicted) |
| SMILES | C[S@@](=O)CC[C@@H](C(=O)O)[NH3] |
| D-amino acid code | DSME |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 158980 |
| CAS number | L: 3226-65-1 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-independent rotamers | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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