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Ligand · O8R

O8R · 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate

O8R, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate (C7 H11 N O5, 189.2 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…

Component
O8R
Formula
C7 H11 N O5
Class
ligand
Structures
4
PDB entries
4

Binding sites

O8R in 4 structures; the first of them:

  • 8AU9 · Xenobiotic reductase A from Pseudomonas putida in complex with 2-methoxyethyl… · O8R B402 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183, PHE269, TRP302
  • 8AUE · 12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with… · O8R A402 · binds THR33, PHE74, TRP108, HIS185, HIS188, TYR190, ILE242, ASP243 and 5 more
  • 8AUI · Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl… · O8R A402 · binds CYS25, PHE27, ILE66, HIS178, HIS181, TYR183, PHE269, TRP302
  • 8AUO · OPR3 Y370F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate · O8R B502 · binds THR33, PHE74, TRP108, HIS185, HIS188, TYR190, ILE242, HIS244 and 1 more

Residues it binds most

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

Found with

  • FMN · Flavin mononucleotide
  • PEG · Di(hydroxyethyl)ether
  • GLY · Glycine
  • EDO · 1,2-ethanediol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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