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Ligand · 1LQ

1LQ · quinazolin-4-amine

1LQ, quinazolin-4-amine (C8 H7 N3, 145.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
1LQ
Formula
C8 H7 N3
Class
ligand
Structures
6
PDB entries
4

Binding sites

1LQ in 6 structures; the first of them:

  • 4XV7 · CcP gateless cavity · 1LQ A302 · binds HIS175, ALA176, LEU177, GLY178, LYS179, THR180, GLY190, PHE200 and 4 more
  • 5AQP · Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site… · 1LQ A1382 · binds LYS271, ARG272, SER275, GLY339, SER340, ARG342, ILE343
  • 5RSD · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · 1LQ A201 · binds ASP22, ILE23, VAL24, GLY48, VAL49, ALA52, PHE156
  • 6Y0B · Crystal structure of the cAMP-dependent protein kinase A cocrystallized with… · 1LQ A401 · binds LEU49, VAL57, ALA70, VAL104, MET120, GLU121, TYR122, VAL123 and 3 more
  • 5RSD · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · 1LQ A201 · binds ASP22, ILE23, GLY48, VAL49, ALA52, PHE156
  • 6Y0B · Crystal structure of the camp-dependent protein kinase a cocrystallized with… · 1LQ A401 · binds LEU49, VAL57, ALA70, MET120, GLU121, TYR122, VAL123, LEU173 and 2 more

Residues it binds most

VAL 4, GLY 6, ARG 3, LEU 3, SER 3, ALA 5, ILE 5, PHE 5, LYS 4, MET 3 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • HEM · Protoporphyrin IX containing Fe
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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