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Ligand · QN8

QN8 · (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one

QN8, (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one (C8 H13 N O, 139.2 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (10 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
QN8
Formula
C8 H13 N O
Class
ligand
Structures
15
PDB entries
10

Binding sites

QN8 in 15 structures; the first of them:

  • 6ZNC · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QN8 A304 · binds GLN144, TRP146, SER227, ASP228, CYS229
  • 7B46 · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QN8 A302 · binds LYS101, TYR103, LEU264, ARG267
  • 7B4C · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QN8 B303 · binds LYS120, ALA276, CYS277
  • 7B4H · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QN8 A304 · binds LEU114, HIS115, SER116, VAL122, THR123, CYS124, THR140, PRO142
  • 7B4N · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QN8 A302 · binds LEU114, HIS115, SER116, THR123, CYS124, THR140, PRO142
  • 6ZNC · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A304 · binds GLN144, TRP146, CYS229
  • 7B46 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A302 · binds LYS101, TYR103, LEU264
  • 7B47 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A302 · binds GLN144, TRP146, SER227, ASP228, CYS229
  • 7B49 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A302 · binds GLN144, TRP146, SER227, CYS229
  • 7B4B · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A302 · binds GLN144, TRP146, SER227, ASP228, CYS229
  • 7B4C · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 B303 · binds LYS120, CYS277
  • 7B4D · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A303 · binds GLN144, TRP146, SER227, CYS229
  • 7B4E · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A302 · binds PHE113, CYS124, PRO142
  • 7B4H · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QN8 A304 · binds LEU114, SER116, THR123, CYS124, PRO142

Residues it binds most

CYS 40, SER 32, GLN 25, DC 9, DG 9, TRP 17, ASP 14, LYS 14, ALA 13, THR 10 (residue and the binding sites it lines).

Found with

  • QNN · (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid
  • ACT · Acetate ion
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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