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Ligand · 8A2

8A2 · 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal

8A2, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal (C9 H7 Br F2 O, 249.1 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…

Component
8A2
Formula
C9 H7 Br F2 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

8A2 in 2 structures; the first of them:

  • 7W3L · Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024) · 8A2 A902 · binds MET332, VAL333, THR335, PHE538, TYR761, PRO808, ALA809, THR810
  • 7XE3 · Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024) · 8A2 A905 · binds GLY435, ILE438, ASN440, TYR545, ILE659, LYS661, TYR767, GLN803 and 1 more

Residues it binds most

TYR 3, THR 3, ILE 2, ASN 2, GLN 2, GLY 2, LYS 2, ALA 1, MET 1, PHE 1 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • FLC · Citrate anion
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol
  • TLA · L(+)-tartaric acid

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