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Ligand · IRY

IRY · [(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate

IRY, [(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate (C17 H34 O4 Se, 381.4 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…

Component
IRY
Formula
C17 H34 O4 Se
Class
ligand
Structures
2
PDB entries
2

Binding sites

IRY in 2 structures; the first of them:

  • 8Q2O · Structure of alginate transporter AlgE from P. aeruginosa PAO1 by using Se-MAG for the… · IRY A506 · binds PRO75, GLY90, GLN91, ALA92, LEU126, ALA127, ALA128, TYR190 and 5 more
  • 8Q2P · Structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli by… · IRY A2401 · binds ARG13, LEU16, PHE20, ILE39, MET42, GLY43, ALA46, LEU47 and 4 more

Residues it binds most

LEU 21, PHE 20, ALA 20, VAL 23, TRP 20, GLY 18, ILE 18, PRO 10, ARG 11, ASN 11 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane
  • FLC · Citrate anion
  • GOL · Glycerol
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
  • PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane

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