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Ligand · QKQ

QKQ · ~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide

QKQ, ~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide (C22 H21 N5 O2, 387.4 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
QKQ
Formula
C22 H21 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

QKQ in 2 structures; the first of them:

  • 6ZGP · Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with… · QKQ A403 · binds ASN202, TYR203, GLU205, CYS206, HIS208, HIS213, PHE216, TYR225 and 14 more
  • 6ZGP · Crystal structure of the quaternary ammonium rieske monooxygenase cnta in complex with… · QKQ A403 · binds TYR203, GLU205, CYS206, HIS208, HIS213, PHE216, TYR225, GLN236 and 12 more

Residues it binds most

TYR 24, PHE 24, HIS 24, PRO 24, ASN 24, CYS 24, ASP 24, GLN 24, GLY 24, THR 24 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • FE · Fe (III) ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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