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Ligand · TBS

TBS · 4,5,6,7-tetrabromobenzotriazole

TBS, 4,5,6,7-tetrabromobenzotriazole (C6 H Br4 N3, 434.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
TBS
Formula
C6 H Br4 N3
Class
ligand
Structures
4
PDB entries
3

Binding sites

TBS in 4 structures; the first of them:

  • 6TLL · HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR… · TBS A401 · binds LEU45, VAL53, VAL66, LYS68, ILE95, PHE113, VAL116, ASN118 and 4 more
  • 7QGE · H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR… · TBS A401 · binds VAL53, LYS68, ASN118, HIS160, MET163, ILE174, ASP175
  • 8QCD · Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene… · TBS A402 · binds LEU46, VAL54, VAL67, ILE96, PHE114, GLU115, TYR116, ILE117 and 2 more
  • 6TLL · Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor… · TBS A401 · binds VAL53, VAL66, LYS68, ASN118, HIS160, MET163, ILE174, ASP175

Residues it binds most

VAL 6, ILE 6, ASP 5, LEU 4, MET 4, ASN 3, HIS 3, LYS 3, TYR 3, ALA 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether
  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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