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Ligand · 4ML

4ML · [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid

4ML, [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid (C7 H8 O4, 156.1 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…

Component
4ML
Formula
C7 H8 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

4ML in 2 structures; the first of them:

  • 3HFK · Crystal structure of 4-methylmuconolactone methylisomerase (H52A) in complex with… · 4ML A201 · binds TYR6, LEU8, HIS26, TYR39, GLY65, CYS67, TYR78, TRP87 and 4 more
  • 3HFK · Crystal structure of 4-methylmuconolactone methylisomerase (H52A) in complex with… · 4ML A201 · binds TYR6, LEU8, HIS26, TYR39, GLY65, CYS67, TYR78, TRP87 and 4 more

Residues it binds most

TYR 14, LEU 14, GLY 8, PHE 14, ILE 12, PRO 6, CYS 8, HIS 8, TRP 8, ALA 6 (residue and the binding sites it lines).

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