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Ligand · 4SG

4SG · 4-thio-alpha-D-glucopyranose

4SG, 4-thio-alpha-D-glucopyranose (C6 H12 O5 S, 196.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
4SG
Formula
C6 H12 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

4SG in 4 structures; the first of them:

  • 8CGT · Structure of cyclodextrin glycosyltransferase complexed with a thio-maltohexaose · 4SG B1 · binds PHE183, TYR195, PHE259
  • 9CGT · Structure of cyclodextrin glycosyltransferase complexed with a thio-maltopentaose · 4SG B2 · binds TYR100, HIS140, LEU194, LEU197, ASP229, HIS327, ASP328
  • 8CGT · Structure of cyclodextrin glycosyltransferase complexed with a thio- maltohexaose · 4SG B1 · binds PHE183, TYR195
  • 9CGT · Structure of cyclodextrin glycosyltransferase complexed with a thio- maltopentaose · 4SG B2 · binds HIS140, LEU194, LEU197, ASP229, HIS327, ASP328

Residues it binds most

ASP 8, TYR 8, LEU 4, HIS 4, ASN 4, LYS 4, TRP 4, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GLC · alpha-D-glucopyranose
  • Z9E · 1-thio-alpha-D-glucopyranose

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