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Ligand · TOD

TOD · (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid

TOD, (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid (C16 H22 N2 O6, 338.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
TOD
Formula
C16 H22 N2 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

TOD in 4 structures; the first of them:

  • 4X2T · X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat… · TOD A703 · binds LYS374, ASP379, LYS386, ALA388, GLY390, SER391, ASP399, ASN457 and 12 more
  • 4X2U · X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat… · TOD A1102 · binds ASN458, VAL459, GLY460, ALA461, MET462, GLU463, ARG489, THR492 and 8 more
  • 4X2T · X-ray crystal structure of the orally available aminopeptidase inhibitor, tosedostat… · TOD A703 · binds LYS374, ASP379, LYS386, ALA388, GLY390, SER391, ASP399, ASN457 and 12 more
  • 4X2U · X-ray crystal structure of the orally available aminopeptidase inhibitor, tosedostat… · TOD A1102 · binds ASN458, VAL459, GLY460, ALA461, MET462, GLU463, ARG489, THR492 and 8 more

Residues it binds most

ASP 22, ALA 24, GLY 24, LYS 22, THR 24, GLU 24, ASN 24, TYR 16, LEU 22, ARG 18 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • MG · Magnesium ion
  • CO3 · Carbonate ion
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • GOL · Glycerol

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