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Ligand · NB1

NB1 · (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d][1,3]thiazole-6,7-diol

NB1, (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d][1,3]thiazole-6,7-diol (C10 H17 N O4 S, 247.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
NB1
Formula
C10 H17 N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NB1 in 2 structures; the first of them:

  • 2J4G · Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline… · NB1 A1590 · binds GLY135, PHE136, TYR137, LYS166, ASP242, ASP243, CYS278, TYR282 and 12 more
  • 2J4G · Bacteroides thetaiotaomicron GH84 O-glcnacase in complex with N-butyl-thiazoline inhibitor · NB1 A1590 · binds GLY135, PHE136, TYR137, LYS166, ASP242, ASP243, CYS278, TYR282 and 12 more

Residues it binds most

ASP 4, TYR 4, ASN 4, TRP 4, VAL 4, CYS 4, GLY 4, ILE 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol

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