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Ligand · UPK

UPK · 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol

UPK, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol (C16 H12 N2 O2, 264.3 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…

Component
UPK
Formula
C16 H12 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

UPK in 2 structures; the first of them:

  • 7NRL · 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 · UPK A301 · binds CSO38, ASN42, GLU115, PHE119, LYS122, PRO167, ILE168, GLY171 and 4 more
  • 7NRL · 14-3-3 sigma with PIN1 binding site PS72 and covalently bound LVD1032 · UPK A301 · binds CSO38, ASN42, GLU115, PHE119, LYS122, PRO167, ILE168, GLY171 and 4 more

Residues it binds most

LYS 6, ILE 2, LEU 4, MET 2, PHE 4, THR 2, ALA 2, ARG 2, ASN 2, ASP 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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