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Ligand · INO

INO · 2-hydroxyisonicotinic acid N-oxide

INO, 2-hydroxyisonicotinic acid N-oxide (C6 H5 N O4, 155.1 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
INO
Formula
C6 H5 N O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

INO in 4 structures; the first of them:

  • 3PCJ · Structure of protocatechuate 3,4-dioxygenase complexed with 2-hydroxyisonicotinic acid… · INO M550 · binds THR12, GLY14, PRO15, ARG133, GLY134, TYR324, TYR408, TYR447 and 6 more
  • 3PCL · Structure of protocatechuate 3,4-dioxygenase complexed with 2-hydroxyisonicotinic acid… · INO M550 · binds THR12, GLY14, PRO15, ARG133, GLY134, TYR324, TYR408, TYR447 and 6 more
  • 3PCJ · Structure of protocatechuate 3,4-dioxygenase complexed with 2- hydroxyisonicotinic acid… · INO M550 · binds THR12, GLY14, PRO15, ARG133, GLY134, TYR324, TYR408, TYR447 and 6 more
  • 3PCL · Structure of protocatechuate 3,4-dioxygenase complexed with 2- hydroxyisonicotinic acid… · INO M550 · binds THR12, GLY14, PRO15, ARG133, GLY134, TYR324, TYR408, TYR447 and 6 more

Residues it binds most

TYR 24, ARG 24, HIS 24, GLY 24, GLN 24, ILE 24, PRO 24, THR 24, TRP 24 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • CYN · Cyanide ion
  • BME · Beta-mercaptoethanol

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