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Ligand · DII

DII · Methylphosphonic acid diisopropyl ester

DII, Methylphosphonic acid diisopropyl ester (C7 H17 O3 P, 180.2 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…

Component
DII
Formula
C7 H17 O3 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

DII in 4 structures; the first of them:

  • 1EZ2 · Three-dimensional structure of the zinc-containing phosphotriesterase with bound… · DII A1403 · binds HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201, HIS230 and 6 more
  • 1P6C · crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with… · DII A7 · binds HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201, HIS230 and 5 more
  • 1EZ2 · Three-dimensional structure of the zinc-containing phosphotriesterase with bound… · DII A1403 · binds HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201, HIS230 and 6 more
  • 1P6C · Crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with… · DII A7 · binds HIS57, GLY60, ILE106, TRP131, PHE132, KCX169, HIS201, HIS230 and 5 more

Residues it binds most

HIS 8, PHE 8, LEU 8, TRP 8, ASP 8, ILE 8, KCX 8, SER 8, GLY 6, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EBP · Diethyl 4-methylbenzylphosphonate

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