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Ligand · OES

OES · N-octyl-2-hydroxyethyl sulfoxide

OES, N-octyl-2-hydroxyethyl sulfoxide (C10 H22 O2 S, 206.3 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
OES
Formula
C10 H22 O2 S
Class
ligand
Structures
10
PDB entries
5

Binding sites

OES in 10 structures; the first of them:

  • 1BY3 · Fhua from E. COLI · OES A715 · binds PHE174, GLN175, THR176, ALA198, SER200, GLN211, TYR213
  • 1BY5 · Fhua from E. COLI, with its ligand ferrichrome · OES A715 · binds PHE166, PHE174, THR176, ALA198, SER200, GLN211, TYR213
  • 2HDF · Crystal structure of the Colicin I receptor Cir from E.coli · OES A21 · binds TYR362, LEU364, MSE384, GLU392
  • 2XE2 · Molecular insights into clinically isolated OmpC20 mutants and their role in multi-drug… · OES A1344 · binds TYR131, TYR149
  • 2XE5 · Molecular insights into clinically isolated OmpC mutants and their role in multi-drug… · OES B1352 · binds GLY19, HIS21, PHE23, LEU337, TYR90, ALA129, TYR149, GLN150 and 3 more
  • 1BY3 · Fhua from E. COLI · OES A715 · binds PHE174, GLN175, THR176, ALA198, SER200, GLN211, TYR213
  • 1BY5 · Fhua from E. COLI, with its ligand ferrichrome · OES A715 · binds PHE166, PHE174, THR176, ALA198, SER200, GLN211, TYR213
  • 2HDF · Crystal structure of the colicin I receptor cir from E.COLI · OES A21 · binds TYR362, LEU364, MSE384, GLU392
  • 2XE2 · Molecular insights into clinically isolated OMPC20 mutants and their role in multi-drug… · OES A1344 · binds TYR131, TYR149

Residues it binds most

TYR 32, PHE 26, ALA 18, VAL 18, GLN 12, LEU 12, LYS 12, THR 12, GLY 6, SER 10 (residue and the binding sites it lines).

Found with

  • ASZ · 2-(dimethylamino)ethanesulfonic acid
  • D10 · Decane
  • D12 · Dodecane
  • HP6 · Heptane
  • FE · Fe (III) ion
  • SR · Strontium ion
  • SO4 · Sulfate ion
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane
  • HEX · Hexane
  • OCT · N-octane
  • AHO · N-acetyl-N-hydroxy-L-ornithine

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