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Ligand · 2HC

2HC · (2E)-3-(2-hydroxyphenyl)acrylic acid

2HC, (2E)-3-(2-hydroxyphenyl)acrylic acid (C9 H8 O3, 164.2 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 ligands…

Component
2HC
Formula
C9 H8 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

2HC in 4 structures; the first of them:

  • 1V5Z · Binding of coumarins to NAD(P)H:FMN oxidoreductase · 2HC A815 · binds SER42, ILE43, PHE124, TRP138, LYS16, HIS70, PHE72, GLU165 and 1 more
  • 5BNL · Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and… · 2HC A303 · binds ASN62, HIS64, ASN67, ILE91, GLN92, PHE131, THR200
  • 1V5Z · Binding of coumarins to NAD(P)H:FMN oxidoreductase · 2HC A815 · binds SER42, ILE43, PHE124, TRP138, LYS16, HIS70, PHE72, GLU165 and 1 more
  • 5BNL · Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and… · 2HC A303 · binds ASN62, HIS64, ASN67, ILE91, GLN92, PHE131, THR200

Residues it binds most

PHE 6, HIS 6, ILE 6, ASN 2, GLU 4, GLY 4, LYS 4, SER 4, GLN 2, THR 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • HG · Mercury (II) ion
  • ZN · Zinc ion

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