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Ligand · J42

J42 · N-{[(1S)-5-({[4-bromo-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]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid

J42, N-{[(1S)-5-({[4-bromo-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]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-L-glut…

Component
J42
Formula
C58 H97 Br N8 O24 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

J42 in 2 structures; the first of them:

  • 4NGT · Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor · J42 A815 · binds PHE209, ARG210, GLY256, ASN257, ASP387, GLU424, GLU425, GLY427 and 21 more
  • 4NGT · Crystal structure of glutamate carboxypeptidase II in a complex with urea-based inhibitor · J42 A815 · binds PHE209, ARG210, GLY256, ASN257, ASP387, GLU424, GLU425, GLY427 and 21 more

Residues it binds most

ARG 2, ASN 2, GLY 2, ASP 2, GLU 2, LYS 2, TYR 2, ALA 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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