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Ligand · L9I

L9I · ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate

L9I, ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate (C6 H9 N O4, 159.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
L9I
Formula
C6 H9 N O4
Class
ligand
Structures
4
PDB entries
4

Binding sites

L9I in 4 structures; the first of them:

  • 8A8I · Xenobiotic reductase A from Pseudomonas putida in complex with ethyl… · L9I B402 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183, PHE269, TRP302 and 1 more
  • 8AUA · 12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl… · L9I A402 · binds THR33, PHE74, TRP108, HIS185, HIS188, TYR190, HIS244, TYR284 and 3 more
  • 8AUG · XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate · L9I A401 · binds CYS25, TYR27, ILE66, LYS106, HIS178, HIS181, PHE183, PHE269 and 2 more
  • 8AUJ · OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate · L9I A502 · binds THR33, PHE74, TRP108, HIS185, HIS188, PHE190, HIS244, TYR284 and 3 more

Residues it binds most

HIS 8, TRP 12, TYR 8, PHE 8, ALA 7, ARG 4, CYS 4, ILE 4, THR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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