Non-natural sidechain SwissSidechain - DBY
3D view
| Name | 3,5-dibromotyrosine |
| Molecular Weight [g/mol] | 339.99 |
| logP | -0.38 (predicted) |
| Sidechain logP | 3.31 (predicted) |
| Volume [Å3 ] | 259.58 |
| Sidechain Volume [Å3 ] | 173.92 |
| pKa | 1.35 / 9.44 / 6.75 (predicted) |
| SMILES | OC(=O)[C@H](Cc1cc(Br)c(c(c1)Br)O)[NH3] |
| D-amino acid code | DDBY |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 67532 |
| CAS number | L: 300-38-9 | D: 50299-42-8 |
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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