Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T45593 Target Info
Target Name Microtubule-associated protein tau (MAPT)
Synonyms tau; Paired helical filamenttau; Paired helical filament-tau; Neurofibrillary tangle protein; MTBT1; MAPTL
Target Type Clinical trial Target
Gene Name MAPT
UniProt ID
TAU_HUMAN
Ligand General Information  Top
Ligand Name L-serine-O-phosphate Ligand Info
Canonical SMILES C(C(C(=O)O)N)OP(=O)(O)O
InChI 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey BZQFBWGGLXLEPQ-REOHCLBHSA-N
PubChem Compound ID 68841
Drug Binding Sites of Target  Top
PDB ID: 6FBW      Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-II with 14-3-3sigma
Method X-ray diffraction Resolution 1.45 Å Mutation No [1]
PDB Sequence
RTPLPG
Residue
Distance (Å)
THR3
3.526
PRO4
1.327
Residue
Distance (Å)
LEU6
1.324
PRO7
2.909
PDB ID: 4Y32      Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma
Method X-ray diffraction Resolution 1.70 Å Mutation No [2]
PDB Sequence
RTPLPT
Residue
Distance (Å)
THR212
3.614
PRO213
1.334
Residue
Distance (Å)
LEU215
1.319
PRO216
3.228
PDB ID: 4Y3B      Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
Method X-ray diffraction Resolution 1.80 Å Mutation No [2]
PDB Sequence
RTPLPT
Residue
Distance (Å)
THR212
3.625
PRO213
1.328
Residue
Distance (Å)
LEU215
1.326
PRO216
3.230
PDB ID: 6FI5      Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma
Method X-ray diffraction Resolution 1.70 Å Mutation No [1]
PDB Sequence
TPLP
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
THR3
3.350
PRO4
1.328
Residue
Distance (Å)
LEU6
1.327
PRO7
2.545
References  Top
REF 1 Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci. 2018 Nov 21;9(11):2639-2654.
REF 2 Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew Chem Int Ed Engl. 2015 Dec 21;54(52):15720-4.

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