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Ligand · A3M

A3M · 2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one

A3M, 2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one (C9 H18 N2 O, 170.2 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 and the…

Component
A3M
Formula
C9 H18 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

A3M in 2 structures; the first of them:

  • 1N1M · Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor · A3M A954 · binds ARG125, GLU205, GLU206, PHE357, TYR547, SER630, TYR631, VAL656 and 6 more
  • 1N1M · Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor · A3M A954 · binds ARG125, GLU205, GLU206, PHE357, TYR547, SER630, TYR631, VAL656 and 6 more

Residues it binds most

TYR 4, GLU 4, VAL 4, ARG 4, ASN 4, HIS 4, PHE 4, SER 4, TRP 4 (residue and the binding sites it lines).

Found with

  • HG · Mercury (II) ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose

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