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Ligand · 6DJ

6DJ · (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol

6DJ, (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol (C11 H20 N2 O3 S, 260.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
6DJ
Formula
C11 H20 N2 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

6DJ in 4 structures; the first of them:

  • 3WF0 · Crystal structure of human beta-galactosidase in complex with 6S-NBI-DGJ · 6DJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, ASP241 and 7 more
  • 3WF4 · Crystal structure of human beta-galactosidase mutant I51T in complex with 6S-NBI-DGJ · 6DJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, GLU268 and 6 more
  • 3WF0 · Crystal structure of human beta-galactosidase in complex with 6S-nbi- dgj · 6DJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, ASP241 and 7 more
  • 3WF4 · Crystal structure of human beta-galactosidase mutant I51T in complex with 6S-nbi-dgj · 6DJ A706 · binds TYR83, ILE126, CYS127, ALA128, GLU129, ASN187, GLU188, GLU268 and 6 more

Residues it binds most

TYR 16, GLU 16, ALA 16, ASN 16, CYS 16, ILE 16, LEU 16, TRP 16, ASP 10 (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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