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Ligand · 56I

56I · [(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid

56I, [(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid (C7 H15 N O7 S, 257.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
56I
Formula
C7 H15 N O7 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

56I in 2 structures; the first of them:

  • 7P32 · Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with… · 56I AAA1002 · binds ASP282, TRP376, ASP404, LEU405, ILE441, TRP481, TRP516, ASP518 and 7 more
  • 7P4D · Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in… · 56I AAA905 · binds PHE271, ASP299, LEU300, ILE341, GLU343, PHE377, TRP410, ASP412 and 7 more

Residues it binds most

ASP 2, TRP 2, PHE 2, LEU 2, ARG 2, HIS 2, ILE 2, GLU 1, MET 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • OXL · Oxalate ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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