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Ligand · NSE

NSE · 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

NSE, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (C14 H8 N4 O, 248.2 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…

Component
NSE
Formula
C14 H8 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NSE in 2 structures; the first of them:

  • 4NZB · NS9283 bound to Ls-AChBP · NSE E301 · binds TYR89, TRP143, THR144, TYR185, TYR192, TRP53, ARG104, LEU112 and 1 more
  • 4NZB · NS9283 bound to ls-achbp · NSE E301 · binds TYR89, TRP143, THR144, TYR185, TYR192, TRP53, ARG104, LEU112 and 1 more

Residues it binds most

TYR 12, TRP 12, ARG 12, LEU 12, MET 12, THR 12, GLN 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • ACT · Acetate ion
  • GOL · Glycerol

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