Non-natural sidechain SwissSidechain - 2AS
3D view
| Name | 3-methyl-aspartic acid |
| Molecular Weight [g/mol] | 147.13 |
| logP | -2.41 (predicted) |
| Sidechain logP | 0.33 |
| Volume [Å3 ] | 155.96 |
| Sidechain Volume [Å3 ] | 70.29 |
| pKa | 1.87 / 9.68 / 3.55 (predicted) |
| SMILES | OC(=O)[C@H]([C@@H]([C](=O)=O)C)[NH3] |
| D-amino acid code | D2AS |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L/D: 852 |
| CAS number | L/D: 6667-60-3 |
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-dependent rotamers | |
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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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