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Ligand · 6GJ

6GJ · (3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol

6GJ, (3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol (C11 H20 N2 O4 S, 276.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
6GJ
Formula
C11 H20 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6GJ in 2 structures; the first of them:

  • 3WF1 · Crystal structure of human beta-galactosidase in complex with 6S-NBI-GJ · 6GJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, ASP241 and 7 more
  • 3WF1 · Crystal structure of human beta-galactosidase in complex with 6S-nbi- gj · 6GJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, ASP241 and 7 more

Residues it binds most

TYR 8, GLU 8, ALA 8, ASN 8, ASP 8, CYS 8, ILE 8, LEU 8, TRP 8, GLY 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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