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Ligand · P9V

P9V · (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3, 4,5-triol

P9V, (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3, 4,5-triol (C8 H17 N O3 S, 207.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
P9V
Formula
C8 H17 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

P9V in 2 structures; the first of them:

  • 6Q1N · Glucocerebrosidase in complex with pharmacological chaperone IMX8 · P9V A621 · binds CYS126, ASP127, PHE128, TRP179, ASN234, GLU235, TYR244, PHE246 and 7 more
  • 6Q1N · Glucocerebrosidase in complex with pharmacological chaperone IMX8 · P9V A621 · binds ASP127, PHE128, TRP179, ASN234, GLU235, TYR244, PHE246, GLN284 and 5 more

Residues it binds most

ASN 4, GLU 4, PHE 4, TRP 4, TYR 4, ASP 4, CYS 3, GLN 3, HIS 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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