Non-natural sidechain SwissSidechain - M2S
3D view
| Name | 3,3-dimethyl-methionine sulfoxide |
| Molecular Weight [g/mol] | 194.27 |
| logP | -3.08 (predicted) |
| Sidechain logP | 1.73 (predicted) |
| Volume [Å3 ] | 217.36 |
| Sidechain Volume [Å3 ] | 131.70 |
| pKa | 2 / 9.3 (predicted) |
| SMILES | C[S@@](=O)CC([C@@H](C(=O)O)[NH3])(C)C |
| D-amino acid code | DM2S |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number |
Download:
| Files | L-amino acid | D-amino acid | |
|---|---|---|---|
| PDB |
|
|
|
| MOL2 | |
|
|
| 2D structures (PNG) | |
 |
|
| backbone-dependent rotamers | |
|
|
| backbone-independent rotamers | |
|
|
| Gromacs topology file | |
|
|
| CHARMM topology file | |
|