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Ligand · VND

VND · (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl) cyclohexane-1,2,3,4-tetrol

VND, (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl) cyclohexane-1,2,3,4-tetrol (C11 H23 N O5, 249.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
VND
Formula
C11 H23 N O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

VND in 2 structures; the first of them:

  • 8ETL · Co-crystal structure of Chaetomium glucosidase with compound 24 · VND A901 · binds PRO412, PHE417, PHE421, TRP423, ASP424, ARG459, GLY584, ASP586 and 6 more
  • 7JTY · Co-crystal structure of alpha glucosidase with compound 1 · VND A1001 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP525, TRP562, ASP564 and 7 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • CA · Calcium ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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