GL1X · GenesisL1 explorer

Ligand · WAV

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

WAV, (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy) ethyl]amino}cyclohexane-1,2,3,4-tetrol (C17 H30 N6 O8, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
WAV
Formula
C17 H30 N6 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

WAV in 2 structures; the first of them:

  • 7KBJ · Co-crystal structure of alpha glucosidase with compound 9 · WAV A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, CYS524, TRP525 and 15 more
  • 7KBJ · Co-crystal structure of alpha glucosidase with compound 9 · WAV A1001 · binds TRP423, ASP451, ILE452, ILE488, TRP523, CYS524, TRP525, TRP562 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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