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Ligand · O8I

O8I · ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate

O8I, ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate (C7 H11 N O4, 173.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
O8I
Formula
C7 H11 N O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

O8I in 2 structures; the first of them:

  • 8AU8 · Xenobiotic reductase A from P. putida in complex with ethyl… · O8I A402 · binds CYS25, TYR27, ALA57, ILE66, GLN99, HIS178, HIS181, TYR183 and 2 more
  • 8AUB · 12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl… · O8I A402 · binds THR33, PHE74, TRP108, HIS185, HIS188, TYR190, HIS244, TYR284 and 3 more

Residues it binds most

HIS 5, TYR 4, ALA 5, PHE 5, ILE 3, TRP 4, CYS 2, THR 2, VAL 2, ARG 1 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • PEG · Di(hydroxyethyl)ether
  • CL · Chloride ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • PG4 · Tetraethylene glycol

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