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Ligand · LE3

LE3 · N-{4-[(R)-methylsulfinyl]butyl}thioformamide

LE3, N-{4-[(R)-methylsulfinyl]butyl}thioformamide (C6 H13 N O S2, 179.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
LE3
Formula
C6 H13 N O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

LE3 in 2 structures; the first of them:

  • 3SMC · Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound L-sulforaphane · LE3 A200 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, PHE113 and 1 more
  • 3SMC · Macrophage migration inhibitory factor (mif) with covalently bound L- sulforaphane · LE3 A200 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, PHE113 and 1 more

Residues it binds most

TYR 6, HIS 6, ILE 6, MET 6, PHE 6, PRO 6, LYS 4, SER 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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