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Ligand · A1A3W

A1A3W · (1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine

A1A3W, (1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine (C9 H14 N2, 150.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
A1A3W
Formula
C9 H14 N2
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1A3W in 2 structures; the first of them:

  • 7HH9 · PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex… · A1A3W B103 · binds ASP30, GLY31, MET15, TYR18, TRP21, PHE44, THR47, GLU49 and 2 more
  • 7HO9 · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · A1A3W B201 · binds ASN25, TRP27, MET39, SER54, ASN55, TYR56, PHE177, TYR179

Residues it binds most

THR 2, TYR 3, MET 3, PHE 3, TRP 3, ALA 2, ASN 1, GLU 2, ASP 1, GLY 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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