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Ligand · QED

QED · N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)

QED, N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) (C25 H28 N6 O9, 556.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
QED
Formula
C25 H28 N6 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

QED in 2 structures; the first of them:

  • 3HWG · Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2 · QED A180 · binds ALA40, ILE41, TYR52, SER68, LEU70, TRP79, ARG81, LEU94 and 9 more
  • 3HWG · Crystal structure of siderocalin (ngal, lipocalin 2) complexed with fe-trencam-HOPO2 · QED A180 · binds ALA40, ILE41, TYR52, SER68, LEU70, TRP79, ARG81, LEU94 and 9 more

Residues it binds most

TYR 6, LEU 6, LYS 6, PHE 6, SER 6, ALA 6, ILE 6, ARG 4, TRP 4 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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