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Ligand · JFQ

JFQ · trans-N-(3-aminopropyl)cyclohexane-1,4-diamine

JFQ, trans-N-(3-aminopropyl)cyclohexane-1,4-diamine (C9 H21 N3, 171.3 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…

Component
JFQ
Formula
C9 H21 N3
Class
ligand
Structures
4
PDB entries
2

Binding sites

JFQ in 4 structures; the first of them:

  • 6HY1 · Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and… · JFQ C401 · binds TRP51, VAL91, ILE92, GLN93, TYR102, HIS103, ASP127, ASP196 and 5 more
  • 6I1N · Plasmodium falciparum spermidine synthase in complex with… · JFQ A402 · binds GLN72, LEU88, GLY124, GLU147, ILE148, VAL152, ASP178, ALA179 and 1 more
  • 6HY1 · Plasmodium falciparum spermidine synthase in complex with 5'- methylthioadenosine and… · JFQ C401 · binds TRP51, VAL91, ILE92, GLN93, TYR102, HIS103, ASP127, ASP196 and 5 more
  • 6I1N · Plasmodium falciparum spermidine synthase in complex with N-(3… · JFQ A402 · binds GLN72, LEU88, GLY124, GLU147, ILE148, VAL152, ASP178, ALA179 and 1 more

Residues it binds most

ASP 12, GLN 12, ILE 12, TYR 6, GLY 6, SER 10, VAL 8, ALA 6, GLU 6, HIS 6 (residue and the binding sites it lines).

Found with

  • 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
  • GOL · Glycerol
  • GXQ · N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine
  • MTA · 5'-deoxy-5'-methylthioadenosine

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