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Ligand · 4JM

4JM · 4-(methylsulfanyl)aniline

4JM, 4-(methylsulfanyl)aniline (C7 H9 N S, 139.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
4JM
Formula
C7 H9 N S
Class
ligand
Structures
3
PDB entries
2

Binding sites

4JM in 3 structures; the first of them:

  • 4YRL · Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with… · 4JM A502 · binds ILE106, PRO125, CYS154, TRP155, ARG156, ARG165, ARG166, GLU167 and 1 more
  • 7H8Z · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · 4JM B206 · binds THR111, GLY112, SER115, GLY117, LYS118, ASP119, TRP148
  • 4YRL · Crystal structure of T. cruzi histidyl-tRNA synthetase in complex with… · 4JM A502 · binds ILE106, PRO125, CYS154, TRP155, ARG156, ARG165, ARG166, GLU167 and 1 more

Residues it binds most

ARG 3, GLY 2, TRP 4, ASP 3, CYS 3, GLU 2, HIS 2, ILE 2, LYS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • HIS · Histidine
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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