GL1X · GenesisL1 explorer

Ligand · 023

023 · N^2^-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide

023, N^2^-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide (C21 H33 N3 O4, 391.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
023
Formula
C21 H33 N3 O4
Class
ligand
Structures
6
PDB entries
3

Binding sites

023 in 6 structures; the first of them:

  • 2WO8 · MMP12 complex with a beta hydroxy carboxylic acid · 023 B1268 · binds GLY179, ILE180, LEU181, ALA182, HIS183, LEU214, THR215, HIS218 and 9 more
  • 2WO9 · MMP12 complex with a beta hydroxy carboxylic acid · 023 B1267 · binds GLY179, ILE180, LEU181, ALA182, HIS183, LEU214, THR215, HIS218 and 9 more
  • 2WOA · MMP12 complex with a beta hydroxy carboxylic acid · 023 B1269 · binds GLY179, ILE180, LEU181, ALA182, HIS183, LEU214, THR215, HIS218 and 9 more
  • 2WO8 · MMP12 complex with a beta hydroxy carboxylic acid · 023 B1268 · binds GLY179, ILE180, LEU181, ALA182, HIS183, LEU214, THR215, HIS218 and 9 more
  • 2WO9 · MMP12 complex with a beta hydroxy carboxylic acid · 023 B1267 · binds GLY179, ILE180, LEU181, ALA182, HIS183, LEU214, THR215, HIS218 and 9 more
  • 2WOA · MMP12 complex with a beta hydroxy carboxylic acid · 023 B1269 · binds GLY179, ILE180, LEU181, ALA182, HIS183, LEU214, THR215, HIS218 and 9 more

Residues it binds most

HIS 12, LEU 12, THR 12, ALA 12, GLU 12, GLY 12, ILE 12, LYS 12, PHE 12, PRO 12 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • 068 · (3S)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
  • 077 · (3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid
  • 576 · (3S)-5-(9H-fluoren-2-yl)-3-hydroxypentanoic acid

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