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Ligand · 4E4

4E4 · 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide

4E4, 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide (C13 H20 N2 O2, 236.3 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…

Component
4E4
Formula
C13 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4E4 in 2 structures; the first of them:

  • 4YM9 · Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel… · 4E4 A1001 · binds HIS57, THR96, VAL99, GLY190, CYS191, GLN192, GLY193, ASP194 and 5 more
  • 4YM9 · Crystal structure of porcine pancreatic elastase (ppe) in complex with the novel… · 4E4 A1001 · binds HIS57, THR96, VAL99, GLY190, CYS191, GLN192, GLY193, ASP194 and 5 more

Residues it binds most

GLY 2, SER 2, THR 2, VAL 2, ASP 2, CYS 2, GLN 2, HIS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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