GL1X · GenesisL1 explorer

Ligand · X8Y

X8Y · (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl) amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3, 4-tetrol

X8Y, (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl) amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3, 4-tetrol (C19 H30 N6 O7, 454.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
X8Y
Formula
C19 H30 N6 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

X8Y in 2 structures; the first of them:

  • 7KRY · Co-crystal structure of alpha glucosidase with compound 11 · X8Y A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, CYS524, TRP525 and 15 more
  • 7KRY · Co-crystal structure of alpha glucosidase with compound 11 · X8Y A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, CYS524, TRP525 and 13 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • P6G · Hexaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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