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Ligand · TJ8

TJ8 · 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TJ8, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde (C16 H11 Br N2 O, 327.2 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 most…

Component
TJ8
Formula
C16 H11 Br N2 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

TJ8 in 4 structures; the first of them:

  • 7BDT · 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009 · TJ8 A301 · binds CSO38, ASN42, SER45, GLU115, PHE119, LYS122, PRO167, ILE168 and 4 more
  • 7NQP · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009 · TJ8 A301 · binds ASN42, SER45, PHE119, LYS122, PRO167, ILE168, GLY171, ASP215 and 3 more
  • 7BDT · 14-3-3 sigma with PIN1 binding site PS72 and covalently bound LVD1009 · TJ8 A301 · binds CSO38, ASN42, SER45, PHE119, LYS122, PRO167, ILE168, GLY171 and 2 more
  • 7NQP · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound LVD1009 · TJ8 A301 · binds SER45, PHE119, LYS122, PRO167, ILE168, LEU218, ILE219

Residues it binds most

ILE 4, LYS 4, PHE 4, PRO 4, SER 4, ASN 3, GLY 3, ASP 2, CSO 2, LEU 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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