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Ligand · 2AQ

2AQ · Quinolin-2-amine

2AQ, Quinolin-2-amine (C9 H8 N2, 144.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
2AQ
Formula
C9 H8 N2
Class
ligand
Structures
4
PDB entries
3

Binding sites

2AQ in 4 structures; the first of them:

  • 7H91 · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · 2AQ B206 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, TYR142, CYS143 and 1 more
  • 7WPM · Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP · 2AQ A602 · binds TYR14, ASP51, HIS53, GLY54, PHE220, VAL234, TYR235, VAL236 and 1 more
  • 7ORU · Non-structural protein 10 (NSP10) from SARS cov-2 in complex with fragment VT00221 · 2AQ A204 · binds HIS48, MET63, GLN65, GLU66, THR101
  • 7WPM · Methionyl-tRNA synthetase from staphylococcus aureus complexed with a fragment and ATP · 2AQ A602 · binds TYR14, ASP51, HIS53, GLY54, VAL234, TYR235, VAL236, ASP239

Residues it binds most

ASP 5, TYR 4, VAL 4, ARG 3, GLY 4, MET 4, ALA 2, CYS 3, HIS 3, ILE 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • ZN · Zinc ion
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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