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Ligand · J96

J96 · N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-L-glutamic acid

J96, N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-L-glutamic acid…

Component
J96
Formula
C59 H99 N7 O24 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

J96 in 2 structures; the first of them:

  • 4NGN · Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor · J96 A819 · binds PHE209, ARG210, GLY256, ASN257, ASP387, GLU424, GLU425, GLY427 and 11 more
  • 4NGN · Crystal structure of glutamate carboxypeptidase II in a complex with urea-based inhibitor · J96 A819 · binds PHE209, ARG210, GLY256, ASN257, ASP387, GLU424, GLU425, GLY427 and 11 more

Residues it binds most

ARG 2, GLY 2, ASN 2, ASP 2, GLU 2, TYR 2, HIS 2, LEU 2, LYS 2, PHE 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

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