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Non-natural sidechain SwissSidechain - TPO

3D view

Name phosphothreonine
Molecular Weight [g/mol] 200.11
logP -3.75 (predicted)
Sidechain logP -1.19 (predicted)
Volume [Å3 ] 187.00
Sidechain Volume [Å3 ] 101.33
pKa 2.27 / 8.72 / 6.7 / 1.72 (predicted)
SMILES C[C@H]([C@@H]([C](=O)=O)[NH3])OP(O)(O)O
D-amino acid code DTPO ;(PDB: D11)
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid PDB   |   Ligand
PubChem
CAS number L: 1114-81-4  |  D: 96193-69-0

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
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