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Ligand · 3RI

3RI · (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol

3RI, (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol (C8 H17 N O5, 207.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
3RI
Formula
C8 H17 N O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3RI in 2 structures; the first of them:

  • 3RIK · The acid beta-glucosidase active site exhibits plasticity in binding… · 3RI B501 · binds ASP127, PHE128, TRP179, ASN234, GLU235, PHE246, GLN284, HIS311 and 7 more
  • 3RIK · The acid beta-glucosidase active site exhibits plasticity in binding… · 3RI B501 · binds ASP127, PHE128, TRP179, ASN234, GLU235, PHE246, GLN284, HIS311 and 7 more

Residues it binds most

TRP 4, ASN 4, GLU 4, PHE 4, ASP 4, CYS 4, GLN 4, HIS 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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