Non-natural sidechain SwissSidechain - LE1
3D view
| Name | Penicillamine |
| Molecular Weight [g/mol] | 150.22 |
| logP | -1.78 |
| Sidechain logP | 1.31 (predicted) |
| Volume [Å3 ] | 162.89 |
| Sidechain Volume [Å3 ] | 77.23 |
| pKa | 2.56 / 9.09 / 9.85 (predicted) |
| SMILES | [NH3][C@@H](C(S)(C)C)C(=O)O |
| D-amino acid code | DLE1 ;(PDB: LEI) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | |
| CAS number | L: 1113-41-3 | D: 52-67-5 |
Download:
| Files | L-amino acid | D-amino acid | |
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| PDB |
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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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