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Ligand · CGB

CGB · Calystegine B2

CGB, Calystegine B2 (C7 H13 N O4, 175.2 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 with it.

Component
CGB
Formula
C7 H13 N O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

CGB in 4 structures; the first of them:

  • 2CBV · Beta-glucosidase from Thermotoga maritima in complex with calystegine B2 · CGB A1447 · binds GLN20, HIS121, TRP122, ASN165, GLU166, ASN293, TYR295, TRP324 and 5 more
  • 4IIE · Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with… · CGB A943 · binds ASP92, LEU141, ARG156, LYS189, HIS190, ARG200, MET245, TYR248 and 4 more
  • 2CBV · Beta-glucosidase from thermotoga maritima in complex with calystegine B2 · CGB A1447 · binds GLN20, HIS121, TRP122, ASN165, GLU166, ASN293, TYR295, TRP324 and 5 more
  • 4IIE · Crystal structure of beta-glucosidase 1 from aspergillus aculeatus in complex with… · CGB A943 · binds ASP92, LEU141, ARG156, LYS189, HIS190, ARG200, MET245, TYR248 and 4 more

Residues it binds most

TRP 8, GLU 8, ARG 4, ASN 4, ASP 4, HIS 8, TYR 8, GLN 4, LEU 4, LYS 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ACT · Acetate ion
  • MRD · (4R)-2-methylpentane-2,4-diol

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