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Ligand · QNN

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

QNN, (2~{S})-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 17 records (11 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
QNN
Formula
C8 H13 N O
Class
ligand
Structures
17
PDB entries
11

Binding sites

QNN in 17 structures; the first of them:

  • 6ZNC · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QNN A302 · binds LEU114, HIS115, SER116, THR123, CYS124, THR140, PRO142
  • 7B46 · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QNN D302 · binds GLN144, TRP146, GLY226, SER227, ASP228, CYS229, THR231
  • 7B48 · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QNN B302 · binds CYS182, PRO191
  • 7B4C · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QNN A302 · binds LYS132, SER240, ARG248, ARG249, PRO250, GLU271, CYS273, VAL274 and 1 more
  • 7B4H · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QNN A306 · binds LYS120, SER121, ALA276, CYS277, DC1, DG2, DG3
  • 7B4N · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · QNN A304 · binds LYS120, GLN136, ALA276, CYS277, DG2
  • 6ZNC · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN A302 · binds LEU114, SER116, THR123, CYS124, PRO142
  • 7B46 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN D302 · binds GLN144, SER227, ASP228, CYS229
  • 7B47 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN B302 · binds CYS182, PRO191
  • 7B48 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN B302 · binds CYS182
  • 7B49 · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN A303 · binds LYS120, SER121, ALA276, CYS277, DG2
  • 7B4B · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN A303 · binds LYS132, SER240, ARG248, PRO250, CYS273, GLU285
  • 7B4C · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN A302 · binds LYS132, SER240, ARG248, PRO250, CYS273, GLU285
  • 7B4D · Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene… · QNN A302 · binds LEU114, SER116, VAL122, THR123, CYS124

Residues it binds most

CYS 44, SER 28, LYS 23, PRO 19, ARG 13, ALA 14, GLN 12, GLU 10, DG 9, TRP 7 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • QN8 · (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
  • EDO · 1,2-ethanediol
  • ACT · Acetate ion
  • FMT · Formic acid
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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