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Ligand · LGS

LGS · (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol

LGS, (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol (C15 H28 N2 O5, 316.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
LGS
Formula
C15 H28 N2 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

LGS in 4 structures; the first of them:

  • 2WBG · Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with… · LGS A1446 · binds GLN20, HIS121, TRP122, ASN165, GLU166, ASN293, TYR295, HIS298 and 7 more
  • 2XWD · X-ray structure of acid-beta-glucosidase with 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN in the… · LGS A610 · binds ASP127, PHE128, TRP179, ASN234, GLU235, TYR244, PHE246, HIS311 and 7 more
  • 2WBG · Structure of family 1 beta-glucosidase from thermotoga maritima in complex with… · LGS A1446 · binds GLN20, HIS121, TRP122, ASN165, GLU166, ASN293, TYR295, HIS298 and 7 more
  • 2XWD · X-ray structure of acid-beta-glucosidase with 5N,6O-(N'-(N-octyl) IMINO)NOJIRIMYCIN in… · LGS A610 · binds ASP127, PHE128, TRP179, ASN234, GLU235, TYR244, PHE246, HIS311 and 7 more

Residues it binds most

TRP 12, GLU 12, ASN 12, HIS 12, PHE 12, TYR 12, GLN 10, ASP 4, CYS 4, SER 4 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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