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Ligand · 4JH

4JH · 1-(3-bromophenyl)methanamine

4JH, 1-(3-bromophenyl)methanamine (C7 H8 Br N, 186.1 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…

Component
4JH
Formula
C7 H8 Br N
Class
ligand
Structures
3
PDB entries
2

Binding sites

4JH in 3 structures; the first of them:

  • 4YRI · Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with… · 4JH A502 · binds PRO125, CYS154, TRP155, ARG156, ARG165, ARG166, GLU167, HIS168
  • 8DX3 · HIV-1 reverse transcriptase/rilpivirine with bound fragment 3-bromobenzylamine in the… · 4JH A701 · binds GLU233, HIS235, LYS238, TRP239, THR240, HIS315
  • 4YRI · Crystal structure of T. cruzi histidyl-tRNA synthetase in complex with… · 4JH A502 · binds PRO125, CYS154, TRP155, ARG156, ARG165, ARG166, GLU167, HIS168

Residues it binds most

ARG 2, HIS 3, GLU 3, TRP 3, CYS 2, PRO 2, LYS 1, THR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • HIS · Histidine
  • GOL · Glycerol
  • T27 · 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
  • MG · Magnesium ion

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