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Ligand · UPQ

UPQ · 4-(4-methylimidazol-1-yl)benzaldehyde

UPQ, 4-(4-methylimidazol-1-yl)benzaldehyde (C11 H10 N2 O, 186.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
UPQ
Formula
C11 H10 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

UPQ in 2 structures; the first of them:

  • 7NRK · 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 · UPQ A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, GLY171, ASP215, ILE219 and 1 more
  • 7NRK · 14-3-3 sigma with PIN1 binding site PS72 and covalently bound LVD1002F1 · UPQ A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, GLY171, ILE219, TRP73

Residues it binds most

ILE 2, ASN 2, GLY 2, LYS 2, PHE 2, PRO 2, TRP 2, ASP 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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