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Ligand · NDJ

NDJ · (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide

NDJ, (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide (C11 H22 N2 O4 S, 278.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
NDJ
Formula
C11 H22 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NDJ in 2 structures; the first of them:

  • 3WF2 · Crystal structure of human beta-galactosidase in complex with NBT-DGJ · NDJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, GLU268 and 8 more
  • 3WF2 · Crystal structure of human beta-galactosidase in complex with nbt-dgj · NDJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, GLU268 and 8 more

Residues it binds most

TYR 8, GLU 8, ASN 8, ALA 8, CYS 8, ILE 8, LEU 8, TRP 8, ASP 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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