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Ligand · 5EN

5EN · 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide

5EN, 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide (C22 H19 F2 N3 O4, 427.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
5EN
Formula
C22 H19 F2 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

5EN in 2 structures; the first of them:

  • 5DRR · Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex · 5EN A303 · binds LEU18, MET62, GLU77, HIS78, THR190, PHE191, GLY192, ILE197 and 12 more
  • 5DRR · Crystal structure of the pseudomonas aeruginosa LPXC/LPC-058 complex · 5EN A303 · binds LEU18, MET62, GLU77, HIS78, THR190, PHE191, GLY192, ILE197 and 12 more

Residues it binds most

HIS 2, ALA 2, GLY 2, LEU 2, VAL 2, ARG 2, ASP 2, GLU 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NO3 · Nitrate ion

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