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Ligand · LE2

LE2 · N-(2-phenylethyl)thioformamide

LE2, N-(2-phenylethyl)thioformamide (C9 H11 N S, 165.3 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 binds most and the ligands found…

Component
LE2
Formula
C9 H11 N S
Class
ligand
Structures
4
PDB entries
2

Binding sites

LE2 in 4 structures; the first of them:

  • 3SMB · Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF) · LE2 A200 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, MET101 and 4 more
  • 4F2K · Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate · LE2 A201 · binds PRO2, MET3, LYS33, TYR37, ILE38, HIS63, SER64, ILE65 and 5 more
  • 3SMB · Phenethylisothiocyanate covalently bound to macrophage migration inhibitory factor (mif) · LE2 A200 · binds PRO1, MET2, LYS32, TYR36, HIS62, SER63, ILE64, MET101 and 4 more
  • 4F2K · Macrophage migration inhibitory factor covalently complexed with phenethylisothiocyanate · LE2 A201 · binds PRO2, MET3, LYS33, TYR37, ILE38, HIS63, SER64, ILE65 and 5 more

Residues it binds most

MET 12, TYR 12, ILE 12, ASN 12, HIS 12, LYS 12, PHE 12, PRO 12, SER 12, VAL 12 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • IPA · Isopropyl alcohol

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