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Ligand · 3XR

3XR · (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium

3XR, (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium (C8 H15 N2 O5 +1, 219.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
3XR
Formula
C8 H15 N2 O5 +1
Class
ligand
Structures
3
PDB entries
2

Binding sites

3XR in 3 structures; the first of them:

  • 4X6K · Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in… · 3XR A802 · binds ARG257, ILE258, ARG276, ASP282, ILE338, ASP339, ASP356, MET358 and 9 more
  • 8GFS · Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in… · 3XR A601 · binds SER399, SER401, ALA403, GLN408, PHE409, MET410, LEU413, HIS445 and 3 more
  • 4X6K · Crystal structure of the intramolecular trans-sialidase from ruminococcus gnavus in… · 3XR A802 · binds ARG257, ILE258, ARG276, ASP282, ILE338, ASP339, ASP356, MET358 and 9 more

Residues it binds most

ARG 2, ASP 2, SER 3, TYR 3, ILE 2, GLU 3, MET 3, THR 2, TRP 2, ALA 1 (residue and the binding sites it lines).

Found with

  • ACE · Acetyl group
  • CIT · Citric acid

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