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Ligand · QWW

QWW · 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QWW, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine (C5 H Br3 N4, 356.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
QWW
Formula
C5 H Br3 N4
Class
ligand
Structures
4
PDB entries
2

Binding sites

QWW in 4 structures; the first of them:

  • 7A22 · Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex… · QWW A402 · binds LEU46, VAL54, VAL67, ILE96, PHE114, GLU115, TYR116, ILE117 and 4 more
  • 7A4C · Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with… · QWW A401 · binds LEU45, VAL53, VAL66, ILE95, PHE113, GLU114, VAL116, ASN118 and 2 more
  • 7A22 · Crystal structure of human protein kinase CK2ALPHA' (CSNK2A2 gene product) in complex… · QWW A402 · binds LEU46, VAL54, VAL67, ILE96, PHE114, GLU115, TYR116, ILE117 and 4 more
  • 7A4C · Crystal structure of human protein kinase CK2ALPHA (CSNK2A1 gene product) in complex with… · QWW A401 · binds LEU45, VAL53, VAL66, ILE95, PHE113, GLU114, VAL116, ASN118 and 2 more

Residues it binds most

VAL 6, ILE 6, GLU 6, LEU 6, MET 6, PHE 6, ASN 4, HIS 2, TYR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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