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Ligand · GA9

GA9 · 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1H,3H-benzo[de]isochromen-1-one

GA9, 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1H,3H-benzo[de]isochromen-1-one (C24 H13 Br2 Cl O4, 560.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
GA9
Formula
C24 H13 Br2 Cl O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

GA9 in 2 structures; the first of them:

  • 2A9W · E. coli TS complexed with dUMP and inhibitor GA9 · GA9 A1320 · binds HIS51, ARG53, SER54, ILE79, GLU82, LEU172, GLY173, PHE176 and 2 more
  • 2A9W · E. COLI ts complexed with dump and inhibitor GA9 · GA9 A1320 · binds HIS51, ARG53, SER54, ILE79, GLU82, LEU172, GLY173, PHE176 and 2 more

Residues it binds most

ALA 8, GLU 8, GLY 8, HIS 8, ILE 8, LEU 8, PHE 8, SER 8, LYS 6, ARG 4 (residue and the binding sites it lines).

Found with

  • 2BR · 2-bromophenol
  • UMP · 2'-deoxyuridine 5'-monophosphate
  • PO4 · Phosphate ion
  • BME · Beta-mercaptoethanol
  • GOL · Glycerol

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