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Ligand · IT4

IT4 · 4-bromanyl-2-oxidanyl-benzoic acid

IT4, 4-bromanyl-2-oxidanyl-benzoic acid (C7 H5 Br O3, 217.0 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…

Component
IT4
Formula
C7 H5 Br O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

IT4 in 2 structures; the first of them:

  • 7GPY · PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in… · IT4 B201 · binds MET0, GLY1, PRO2, ASP5, LYS108, PHE109, GLY145, GLN146 and 1 more
  • 7ZFN · BRD4 in complex with FragLite24 · IT4 AAA402 · binds TRP81, PRO82, VAL87, LEU92, LEU94, TYR97, TYR139, ASN140 and 1 more

Residues it binds most

LEU 2, LYS 2, GLY 1, PRO 2, TRP 2, TYR 1, ASN 1, ASP 1, CYS 1, GLN 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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