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Ligand · W9Y

W9Y · (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl) amino]cyclohexane-1,2,3,4-tetrol

W9Y, (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl) amino]cyclohexane-1,2,3,4-tetrol (C21 H32 N6 O7, 480.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries).…

Component
W9Y
Formula
C21 H32 N6 O7
Class
ligand
Structures
3
PDB entries
2

Binding sites

W9Y in 3 structures; the first of them:

  • 7KAD · Co-crystal structure of alpha glucosidase with compound 6 · W9Y A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, TRP525, TRP562 and 9 more
  • 7T8V · Co-crystal structure of Chaetomium glucosidase I with EB-0159 · W9Y A901 · binds PRO412, ARG419, PHE421, TRP423, ASP424, LYS470, PRO472, PHE475 and 7 more
  • 7KAD · Co-crystal structure of alpha glucosidase with compound 6 · W9Y A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP525, TRP562, ASP564 and 6 more

Residues it binds most

TRP 6, PHE 6, ASP 6, ILE 4, ARG 6, HIS 4, PRO 2, GLU 2, GLY 2, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol

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