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Ligand · 46S

46S · 1-(6-methylpyrimidin-4-yl)azepane

46S, 1-(6-methylpyrimidin-4-yl)azepane (C11 H17 N3, 191.3 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 and the ligands found…

Component
46S
Formula
C11 H17 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

46S in 2 structures; the first of them:

  • 4Y3P · Endothiapepsin in complex with fragment 17 · 46S A403 · binds ASP33, ASP35, TYR79, GLY80, ASP81, SER83, PHE116, ILE122 and 3 more
  • 4Y3P · Endothiapepsin in complex with fragment 17 · 46S A403 · binds ASP33, ASP35, TYR79, GLY80, ASP81, SER83, PHE116, ILE122 and 3 more

Residues it binds most

ASP 4, GLY 4, PHE 4, ILE 4, LEU 4, THR 4, TYR 4, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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