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Ligand · 4B0

4B0 · 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol

4B0, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol (C9 H7 Br4 N3 O, 492.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
4B0
Formula
C9 H7 Br4 N3 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

4B0 in 3 structures; the first of them:

  • 7AT9 · Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with… · 4B0 A511 · binds LEU46, VAL54, VAL67, LYS69, ILE96, PHE114, GLU115, ILE117 and 4 more
  • 6HMQ · Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene… · 4B0 A415 · binds LEU46, VAL54, VAL67, ILE96, PHE114, GLU115, ILE117, HIS161 and 2 more
  • 7AT9 · Structure of protein kinase CK2 catalytic subunit (CSNK2A2 gene product) in complex with… · 4B0 A511 · binds VAL54, VAL67, LYS69, ILE96, PHE114, GLU115, ILE117, MET164 and 2 more

Residues it binds most

ILE 3, VAL 3, GLU 3, MET 3, PHE 3, ASP 2, LEU 2, LYS 2, ASN 1, HIS 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • 42J · 2-(3,4-dichlorophenyl)ethanamine
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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