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Ligand · 47N

47N · Neoagarobiose

47N, Neoagarobiose (C12 H20 O10, 324.3 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
47N
Formula
C12 H20 O10
Class
ligand
Structures
4
PDB entries
2

Binding sites

47N in 4 structures; the first of them:

  • 4AK7 · Crystal structure of BpGH117_E303Q in complex with neoagarobiose · 47N A1402 · binds ARG89, ASP90, PHE125, TRP127, PHE164, THR165, GLN180, HIS244 and 8 more
  • 4BQ3 · Structural analysis of an exo-beta-agarase · 47N A1792 · binds TRP199, PHE493, TRP494, GLU534, ARG539, ASP649, TRP650, TYR672 and 2 more
  • 4AK7 · Crystal structure of BPGH117_E303Q in complex with neoagarobiose · 47N A1402 · binds ARG89, ASP90, PHE125, TRP127, PHE164, THR165, GLN180, HIS244 and 8 more
  • 4BQ3 · Structural analysis of an exo-beta-agarase · 47N A1792 · binds TRP199, PHE493, TRP494, GLU534, ARG539, ASP649, TRP650, TYR672 and 2 more

Residues it binds most

TRP 12, GLU 12, ARG 12, ASP 12, PHE 12, HIS 4, LEU 8, GLN 4, TYR 8, ALA 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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