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Ligand · 5GQ

5GQ · 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol

5GQ, 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol (C9 H12 N2 O, 164.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
5GQ
Formula
C9 H12 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

5GQ in 2 structures; the first of them:

  • 5DR4 · Endothiapepsin in complex with fragment 231 · 5GQ A407 · binds ASP33, ASP35, GLY37, SER38, TYR79, GLY80, ASP81, SER83 and 5 more
  • 5DR4 · Endothiapepsin in complex with fragment 231 · 5GQ A407 · binds ASP33, ASP35, GLY37, SER38, TYR79, GLY80, ASP81, SER83 and 5 more

Residues it binds most

ASP 2, GLY 2, SER 2, LEU 2, PHE 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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