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Ligand · K0A

K0A · (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone

K0A, (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone (C10 H14 N2 O S, 210.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
K0A
Formula
C10 H14 N2 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

K0A in 4 structures; the first of them:

  • 5QJA · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · K0A A304 · binds TRP46, GLU47, GLY135, LEU136, TRP28, VAL29, ARG51, THR53 and 1 more
  • 5RZ0 · EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human… · K0A A401 · binds GLY216, ARG217, PRO219, LEU300, MET312, TYR323, ARG326
  • 5QJA · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · K0A A304 · binds TRP46, GLU47, GLY135, LEU136, TRP28, VAL29, ARG51, LEU98
  • 5RZ0 · EPB41L3 pandda analysis group deposition -- crystal structure of the ferm domain of human… · K0A A401 · binds GLY216, ARG217, PRO219, LEU300, MET312, TYR323, ARG326

Residues it binds most

LEU 10, TRP 8, ARG 10, GLY 10, GLU 8, VAL 6, MET 2, PRO 2, TYR 2, THR 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MG · Magnesium ion
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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