Non-natural sidechain SwissSidechain - DPP
3D view
| Name | 2,3-Diaminopropanoic acid |
| Molecular Weight [g/mol] | 105.12 |
| logP | -3.42 (predicted) |
| Sidechain logP | -0.57 |
| Volume [Å3 ] | 116.32 |
| Sidechain Volume [Å3 ] | 30.66 |
| pKa | 2.1 / 6.59 / 8.09 (predicted) |
| SMILES | [NH3]C[C@@H]([C](=O)=O)[NH3] |
| D-amino acid code | DDPP ;(PDB: 2RA) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | L: 97328 |
| CAS number | L: 4033-39-0 | D: 1915-96-4 |
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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