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Ligand · NGW

NGW · (2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol

NGW, (2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol (C8 H15 N O4 S, 221.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
NGW
Formula
C8 H15 N O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

NGW in 4 structures; the first of them:

  • 4AZ5 · Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal… · NGW A1615 · binds ARG196, HIS297, ASP360, GLU361, PHE415, TRP439, TYR469, VAL471 and 3 more
  • 4AZC · Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal… · NGW A2042 · binds ARG641, HIS742, ASP804, GLU805, PHE849, TRP872, TYR902, ILE904 and 2 more
  • 4AZ5 · Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal… · NGW A1615 · binds ARG196, HIS297, ASP360, GLU361, PHE415, TRP439, TYR469, VAL471 and 3 more
  • 4AZC · Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal… · NGW A2042 · binds ARG641, HIS742, ASP804, GLU805, PHE849, TRP872, TYR902, ILE904 and 2 more

Residues it binds most

ASP 10, TRP 10, TYR 10, ARG 10, GLU 10, HIS 10, PHE 10, ILE 8, VAL 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • EDO · 1,2-ethanediol
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol

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