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Ligand · GC2

GC2 · 6-acetamido-6-deoxy-castanospermine

GC2, 6-acetamido-6-deoxy-castanospermine (C10 H18 N2 O4, 230.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
GC2
Formula
C10 H18 N2 O4
Class
ligand
Structures
8
PDB entries
4

Binding sites

GC2 in 8 structures; the first of them:

  • 2XJ7 · BtGH84 in complex with 6-acetamido-6-deoxy-castanospermine · GC2 A1000 · binds GLY135, PHE136, TYR137, LYS166, ASP242, ASP243, CYS278, TYR282 and 9 more
  • 3SUW · Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with… · GC2 A2000 · binds ARG170, ASP199, HIS258, THR282, ASP321, GLU322, TRP352, TRP370 and 5 more
  • 4C7F · Structure and activity of the GH20 beta-N-acetylhexosaminidase from Streptomyces… · GC2 A1511 · binds ARG150, HIS238, VAL264, ASP301, GLU302, TRP332, TRP349, TYR381 and 4 more
  • 5BXS · LNBase in complex with LNB-NHAcCAS · GC2 A702 · binds HIS263, ASP320, GLU321, TRP373, TRP394, TYR419, TYR427, TRP465 and 1 more
  • 2XJ7 · BTGH84 in complex with 6-acetamido-6-deoxy-castanospermine · GC2 A1000 · binds GLY135, PHE136, TYR137, LYS166, ASP242, ASP243, CYS278, TYR282 and 9 more
  • 3SUW · Crystal structure of beta-hexosaminidase from paenibacillus sp. TS12 in complex with… · GC2 A2000 · binds ARG170, ASP199, HIS258, THR282, ASP321, GLU322, TRP352, TRP370 and 5 more
  • 4C7F · Structure and activity of the GH20 beta-N- acetylhexosaminidase from streptomyces… · GC2 A1511 · binds ARG150, HIS238, VAL264, ASP301, GLU302, TRP332, TRP349, TYR381 and 4 more
  • 5BXS · Lnbase in complex with lnb-nhaccas · GC2 A702 · binds HIS263, ASP320, GLU321, TRP373, TRP394, TYR419, TYR427, TRP465 and 1 more

Residues it binds most

TRP 14, ASP 14, TYR 14, GLU 10, VAL 8, HIS 10, ASN 4, ARG 6, LEU 6, THR 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CA · Calcium ion
  • GAL · beta-D-galactopyranose
  • EDO · 1,2-ethanediol

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