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Ligand · RUE

RUE · 3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid

RUE, 3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid (C18 H18 N2 O6, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
RUE
Formula
C18 H18 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

RUE in 2 structures; the first of them:

  • 7AQ1 · Crystal structure of human mature meprin beta in complex with the specific inhibitor… · RUE A605 · binds SER122, CYS124, TRP125, HIS152, GLU153, HIS156, HIS162, ARG184 and 6 more
  • 7AQ1 · Crystal structure of human mature meprin beta in complex with the specific inhibitor… · RUE A605 · binds CYS124, TRP125, HIS152, GLU153, HIS156, HIS162, ARG184, TYR211 and 4 more

Residues it binds most

HIS 4, SER 4, ARG 4, ALA 4, CYS 4, GLU 4, PHE 4, TRP 4, TYR 4, ASN 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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