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Ligand · 3LS

3LS · 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid

3LS, 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid (C26 H16 O8 S5, 616.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
3LS
Formula
C26 H16 O8 S5
Class
ligand
Structures
3
PDB entries
2

Binding sites

3LS in 3 structures; the first of them:

  • 2MUS · HADDOCK calculated model of LIN5001 bound to the HET-s amyloid · 3LS B301 · binds LYS265, SER227, ALA228, LYS229, SER263, VAL264, LYS265, ARG225 and 11 more
  • 8X7Q · pFTAA-bound E46K alpha-synuclein fibrils · 3LS A201 · binds GLY86, SER87, ILE88, LYS96, ASP98, GLY86, SER87, ILE88 and 14 more
  • 2MUS · Haddock calculated model of LIN5001 bound to the het-S amyloid · 3LS B301 · binds LYS265, SER227, ALA228, LYS229, SER263, VAL264, LYS265, ARG225 and 11 more

Residues it binds most

LYS 6, VAL 4, GLY 4, SER 4, ILE 2, ASP 2, ALA 2, ARG 2 (residue and the binding sites it lines).

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