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Ligand · PTU

PTU · 2-ethyl-1-phenyl-isothiourea

PTU, 2-ethyl-1-phenyl-isothiourea (C9 H12 N2 S, 180.3 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 and the ligands found…

Component
PTU
Formula
C9 H12 N2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

PTU in 4 structures; the first of them:

  • 1D1V · Bovine endothelial nitric oxide synthase heme domain complexed with… · PTU A810 · binds GLN249, PRO336, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1K2T · Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea · PTU A1810 · binds GLN478, PRO565, ALA566, VAL567, PHE584, SER585, GLY586, TRP587 and 3 more
  • 1D1V · Bovine endothelial nitric oxide synthase heme domain complexed with S… · PTU A810 · binds GLN249, PRO336, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1K2T · Structure of rat brain nnos heme domain complexed with S- ethyl-N-phenyl-isothiourea · PTU A1810 · binds GLN478, PRO565, ALA566, VAL567, PHE584, SER585, GLY586, TRP587 and 3 more

Residues it binds most

GLN 8, GLU 8, GLY 8, MET 8, PHE 8, PRO 8, SER 8, TRP 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CAD · Cacodylic acid
  • GOL · Glycerol

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