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Ligand · 5IQ

5IQ · Isoquinolin-5-amine

5IQ, Isoquinolin-5-amine (C9 H8 N2, 144.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 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
5IQ
Formula
C9 H8 N2
Class
ligand
Structures
4
PDB entries
2

Binding sites

5IQ in 4 structures; the first of them:

  • 2F2T · Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.7… · 5IQ A463 · binds GLU127, PHE129, ASN134, LEU135, MSE136, VAL19, PHE20, PRO46 and 5 more
  • 4YP0 · Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with… · 5IQ A502 · binds PRO125, CYS154, TRP155, ARG156, ARG165, ARG166, GLU167, HIS168
  • 2F2T · Crystal structure of nucleoside 2-deoxyribosyltransferase from trypanosoma brucei at 1.7… · 5IQ A463 · binds GLU127, PHE129, ASN134, LEU135, MSE136, VAL19, PHE20, PRO46 and 5 more
  • 4YP0 · Crystal structure of T. cruzi histidyl-tRNA synthetase in complex with… · 5IQ A502 · binds PRO125, CYS154, TRP155, ARG156, ARG165, ARG166, GLU167, HIS168

Residues it binds most

GLU 6, ASN 4, PHE 4, ARG 2, PRO 6, ILE 4, LEU 4, MSE 4, THR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • HIS · Histidine
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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