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Ligand · 4XX

4XX · 4-hydroxy-5-methylfuran-3(2H)-one

4XX, 4-hydroxy-5-methylfuran-3(2H)-one (C5 H6 O3, 114.1 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 and the ligands found…

Component
4XX
Formula
C5 H6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4XX in 2 structures; the first of them:

  • 4IDF · Structure of the Fragaria x ananassa e oxidoreductase in complex with NADPH and HMF · 4XX A402 · binds PRO55, VAL56, LYS59, PHE65, ALA108, LEU109, LEU146, ILE253 and 2 more
  • 4IDF · Structure of the fragaria X ananassa enone oxidoreductase in complex with NADPH and hmf · 4XX A402 · binds PRO55, VAL56, LYS59, PHE65, ALA108, LEU109, LEU146, ILE253 and 2 more

Residues it binds most

LEU 2, VAL 2, ALA 2, ILE 2, LYS 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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