GL1X · GenesisL1 explorer

Ligand · WA7

WA7 · (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1, 2,3,4-tetrol

WA7, (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1, 2,3,4-tetrol (C17 H26 N6 O7, 426.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
WA7
Formula
C17 H26 N6 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

WA7 in 2 structures; the first of them:

  • 7KB8 · Co-crystal structure of alpha glucosidase with compound 8 · WA7 A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP525, TRP562, ASP564 and 8 more
  • 7KB8 · Co-crystal structure of alpha glucosidase with compound 8 · WA7 A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP525, TRP562, ASP564 and 8 more

Residues it binds most

TRP 4, PHE 4, ASP 4, ILE 4, HIS 4, ARG 4, MET 4, PRO 2, CYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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