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Ligand · PBD

PBD · 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea

PBD, 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea (C15 H20 N4 O2 S, 320.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
PBD
Formula
C15 H20 N4 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

PBD in 2 structures; the first of them:

  • 4YWY · Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with… · PBD A402 · binds HIS140, ASP159, GLU201, GLU202, TRP207, ASP248, LEU249, TYR299 and 9 more
  • 9FXJ · Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl… · PBD A402 · binds HIS140, ASP159, GLU201, GLU202, TRP207, ASP248, LEU249, TYR299 and 9 more

Residues it binds most

ASP 6, GLU 6, TRP 6, HIS 6, ILE 6, GLN 6, LEU 6, PHE 6, SER 6, TYR 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CO · Cobalt (II) ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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