Non-natural sidechain SwissSidechain - BTR
3D view
| Name | 6-bromo-tryptophan |
| Molecular Weight [g/mol] | 284.13 |
| logP | -0.59 (predicted) |
| Sidechain logP | 3.10 (predicted) |
| Volume [Å3 ] | 258.06 |
| Sidechain Volume [Å3 ] | 172.40 |
| pKa | 2.04 / 9.4 (predicted) |
| SMILES | OC(=O)[C@H](Cc1c[nH]c2c1ccc(c2)Br)[NH3] |
| D-amino acid code | DBTR |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 52448-17-6 | D: 496930-10-0 |
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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