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Ligand · JRJ

JRJ · 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine

JRJ, 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine (C14 H15 Br4 N7, 600.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
JRJ
Formula
C14 H15 Br4 N7
Class
ligand
Structures
4
PDB entries
2

Binding sites

JRJ in 4 structures; the first of them:

  • 5CQU · Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a… · JRJ A401 · binds LEU45, GLY46, ARG47, GLY48, LYS49, TYR50, SER51, VAL53 and 10 more
  • 5CQW · Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a… · JRJ A401 · binds LEU45, VAL53, VAL66, LYS68, ILE95, PHE113, GLU114, VAL116 and 7 more
  • 5CQU · Monoclinic complex structure of protein kinase CK2 catalytic subunit with a… · JRJ A401 · binds LEU45, GLY46, ARG47, GLY48, LYS49, TYR50, SER51, VAL53 and 10 more
  • 5CQW · Tetragonal complex structure of protein kinase CK2 catalytic subunit with a… · JRJ A401 · binds LEU45, VAL53, VAL66, LYS68, ILE95, PHE113, GLU114, VAL116 and 7 more

Residues it binds most

VAL 6, ILE 6, ASP 6, LYS 6, ASN 6, GLU 6, HIS 4, LEU 6, MET 6, PHE 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • CL · Chloride ion

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