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Ligand · W9V

W9V · (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol

W9V, (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]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…

Component
W9V
Formula
C21 H32 N6 O7
Class
ligand
Structures
3
PDB entries
2

Binding sites

W9V in 3 structures; the first of them:

  • 7K9T · Co-crystal structure of alpha glucosidase with compound 5 · W9V A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, TRP525, TRP562 and 11 more
  • 8ETO · Co-crystal structure of Chaetomium glucosidase with compound 25 · W9V A901 · binds PRO412, PHE417, ARG419, PHE421, TRP423, ASP424, LYS470, PRO472 and 9 more
  • 7K9T · Co-crystal structure of alpha glucosidase with compound 5 · W9V A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, TRP525, TRP562 and 8 more

Residues it binds most

TRP 6, PHE 6, ASP 6, ARG 6, ILE 4, HIS 4, PRO 2, MET 3, VAL 3, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • P6G · Hexaethylene glycol
  • 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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