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Ligand · NU1

NU1 · 8-hydroxy-2-methyl-3-hydro-quinazolin-4-one

NU1, 8-hydroxy-2-methyl-3-hydro-quinazolin-4-one (C9 H8 N2 O2, 176.2 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…

Component
NU1
Formula
C9 H8 N2 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

NU1 in 4 structures; the first of them:

  • 4PAX · The catalytic fragment of POLY(ADP-ribose) polymerase complexed with… · NU1 A1 · binds TRP861, HIS862, GLY863, TYR896, PHE897, ALA898, LYS903, SER904 and 2 more
  • 4PNM · Crystal Structure of human Tankyrase 2 in complex with Nu1025. · NU1 A1202 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more
  • 4PAX · The catalytic fragment of POLY(ADP-ribose) polymerase complexed with… · NU1 A1 · binds TRP861, HIS862, GLY863, TYR896, PHE897, ALA898, LYS903, SER904 and 2 more
  • 4PNM · Crystal structure of human tankyrase 2 in complex with NU1025. · NU1 A1202 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more

Residues it binds most

TYR 10, PHE 10, ALA 10, GLU 10, GLY 10, HIS 10, LYS 10, SER 10, ILE 8, TRP 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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