Non-natural sidechain SwissSidechain - UN1
3D view
| Name | 2-Aminoadipic acid |
| Molecular Weight [g/mol] | 162.16 |
| logP | -3.15 (predicted) |
| Sidechain logP | 0.79 |
| Volume [Å3 ] | 179.36 |
| Sidechain Volume [Å3 ] | 93.69 |
| pKa | 2.01 / 9.53 / 4.29 (predicted) |
| SMILES | OC(=O)CCC[C@@H](C(=O)O)[NH3] |
| D-amino acid code | DUN1 ;(PDB: 11C) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | L: 92136 |
| CAS number | L: 542-32-5 | D: 7620-28-2 |
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 | |
|