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Ligand · DPJ

DPJ · O,O-diethyl hydrogen thiophosphate

DPJ, O,O-diethyl hydrogen thiophosphate (C4 H11 O3 P S, 170.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
DPJ
Formula
C4 H11 O3 P S
Class
ligand
Structures
8
PDB entries
4

Binding sites

DPJ in 8 structures; the first of them:

  • 2R1L · OpdA from Agrobacterium radiobacter with bound diethyl thiophosphate from crystal soaking… · DPJ A1 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 2R1P · OpdA from Agrobacterium radiobacter with bound product diethyl thiophosphate from… · DPJ A1 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 3C86 · OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal… · DPJ A1 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 4NP7 · Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter with… · DPJ A403 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 2R1L · Opda from agrobacterium radiobacter with bound diethyl thiophosphate from crystal soaking… · DPJ A1 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 2R1P · Opda from agrobacterium radiobacter with bound product diethyl thiophosphate from… · DPJ A1 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 3C86 · Opda from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal… · DPJ A1 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more
  • 4NP7 · Structure of phosphotriesterase mutant (S308L/Y309A) from agrobacterium radiobacter with… · DPJ A403 · binds HIS55, HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201 and 8 more

Residues it binds most

HIS 8, LEU 8, PHE 8, ARG 8, ASP 8, GLY 8, ILE 8, KCX 8, TRP 8, TYR 8 (residue and the binding sites it lines).

Found with

  • CO · Cobalt (II) ion
  • FE2 · Fe (II) ion
  • EDO · 1,2-ethanediol

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