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Ligand · 4WK

4WK · (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium

4WK, (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium (C8 H18 N3 O2 +1, 188.2 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…

Component
4WK
Formula
C8 H18 N3 O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

4WK in 2 structures; the first of them:

  • 5C0K · Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 · 4WK A404 · binds GLY306, LEU307, THR308, ASP309, TRP310, GLU314, GLN319, TRP323
  • 5C0K · Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 3 · 4WK A404 · binds GLY306, LEU307, THR308, ASP309, TRP310, GLU314, GLN319, TRP323

Residues it binds most

TRP 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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