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Ligand · 5OO

5OO · (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid

5OO, (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid (C9 H6 Cl2 O2, 217.1 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
5OO
Formula
C9 H6 Cl2 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

5OO in 2 structures; the first of them:

  • 5EHW · human carbonic anhydrase II in complex with ligand · 5OO A303 · binds HIS94, HIS96, HIS119, VAL121, PHE130, LEU140, LEU197, THR198 and 3 more
  • 5FNK · Native state mass spectrometry, surface plasmon resonance and X-ray crystallography… · 5OO A1267 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU141, LEU198 and 4 more

Residues it binds most

HIS 2, LEU 2, PRO 2, THR 2, PHE 2, VAL 2, GLN 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • ZN · Zinc ion
  • ACY · Acetic acid
  • DMS · Dimethyl sulfoxide
  • FMT · Formic acid
  • GOL · Glycerol

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