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Ligand · A0U

A0U · ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate

A0U, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate (C16 H24 N4 O3, 320.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
A0U
Formula
C16 H24 N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

A0U in 4 structures; the first of them:

  • 7QBL · Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor… · A0U A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, CYS63, GLY64, GLY65 and 8 more
  • 7QBM · Structure of the activation intermediate of cathepsin K in complex with the… · A0U A301 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLY64, GLY65 and 10 more
  • 7QBL · Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor… · A0U A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, CYS63, GLY64, GLY65 and 5 more
  • 7QBM · Structure of the activation intermediate of cathepsin K in complex with the… · A0U A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY64, GLY65, GLY66 and 4 more

Residues it binds most

GLY 4, CYS 4, GLN 4, ALA 2, ASN 4, HIS 4, LEU 4, SER 4, TRP 4, TYR 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ACT · Acetate ion

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