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Ligand · IJ4

IJ4 · 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid

IJ4, 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid (C10 H14 F N O3 S, 247.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
IJ4
Formula
C10 H14 F N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IJ4 in 2 structures; the first of them:

  • 4FQ4 · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · IJ4 A701 · binds ARG245, ASP270, SER271, ILE326, ASP327, ASP344, MET346, GLY351 and 9 more
  • 4FQ4 · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · IJ4 A701 · binds ARG245, ASP270, SER271, ILE326, ASP327, ASP344, MET346, GLY351 and 9 more

Residues it binds most

ARG 2, ASP 2, TYR 2, SER 2, ASN 2, GLU 2, GLY 2, ILE 2, MET 2, TRP 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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