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Ligand · PGI

PGI · (5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8A-hexahydroimidazo[1,2-A] pyridine-6,7,8-triol

PGI, (5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8A-hexahydroimidazo[1,2-A] pyridine-6,7,8-triol (C16 H21 N2 O4, 305.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
PGI
Formula
C16 H21 N2 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

PGI in 4 structures; the first of them:

  • 2CER · Beta-glycosidase from Sulfolobus solfataricus in complex with phenethyl-substituted… · PGI A1490 · binds GLN18, HIS150, TRP151, ASN205, GLU206, VAL209, ALA263, ASN264 and 11 more
  • 2CET · Beta-glucosidase from Thermotoga maritima in complex with phenethyl- substituted… · PGI A1447 · binds GLN20, HIS121, TRP122, ASN165, GLU166, VAL169, HIS180, ASN222 and 8 more
  • 2CER · Beta-glycosidase from sulfolobus solfataricus in complex with phenethyl-substituted… · PGI A1490 · binds GLN18, HIS150, TRP151, ASN205, GLU206, VAL209, ALA263, ASN264 and 11 more
  • 2CET · Beta-glucosidase from thermotoga maritima in complex with phenethyl-substituted… · PGI A1447 · binds GLN20, HIS121, TRP122, ASN165, GLU166, VAL169, HIS180, ASN222 and 8 more

Residues it binds most

TRP 8, ASN 8, GLU 8, HIS 8, PHE 8, GLN 8, TYR 8, VAL 8, ALA 4, LEU 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • CA · Calcium ion

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