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Ligand · DIJ

DIJ · 3-(4-bromophenyl)propanal

DIJ, 3-(4-bromophenyl)propanal (C9 H9 Br O, 213.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
DIJ
Formula
C9 H9 Br O
Class
ligand
Structures
2
PDB entries
2

Binding sites

DIJ in 2 structures; the first of them:

  • 7XE1 · Crystal structure of LSD2 in complex with cis-4-Br-PCPA · DIJ A905 · binds ASN440, TYR545, LYS661, TYR767, GLN803, THR804
  • 7XE2 · Crystal structure of LSD2 in complex with trans-4-Br-PCPA · DIJ A905 · binds ILE438, ASN440, TYR545, TYR698, TYR767, GLN803, THR804

Residues it binds most

TYR 6, ASN 6, GLN 6, THR 6, ILE 4, LYS 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • ZN · Zinc ion
  • FLC · Citrate anion
  • GOL · Glycerol
  • PGE · Triethylene glycol
  • PEG · Di(hydroxyethyl)ether

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