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Ligand · PR6

PR6 · 3-chloro-3-oxopropanoic acid

PR6, 3-chloro-3-oxopropanoic acid (C3 H3 Cl O3, 122.5 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
PR6
Formula
C3 H3 Cl O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

PR6 in 4 structures; the first of them:

  • 3MLC · Crystal structure of FG41MSAD inactivated by 3-chloropropiolate · PR6 A150 · binds PRO1, LEU2, ILE33, ASP37, PHE71, THR72, GLN73, TRP114 and 2 more
  • 4LHO · Crystal Structure of FG41Malonate Semialdehyde Decarboxylase inhibited by… · PR6 A201 · binds PRO1, LEU2, ASP37, PHE71, THR72, GLN73, TRP114, PHE116 and 1 more
  • 3MLC · Crystal structure of FG41MSAD inactivated by 3-chloropropiolate · PR6 A150 · binds PRO1, LEU2, ILE33, ASP37, PHE71, THR72, GLN73, TRP114 and 2 more
  • 4LHO · Crystal structure of FG41MALONATE semialdehyde decarboxylase inhibited by… · PR6 A201 · binds PRO1, LEU2, ASP37, PHE71, THR72, GLN73, TRP114, PHE116 and 1 more

Residues it binds most

PHE 20, ASP 20, GLN 20, PRO 20, THR 20, TRP 20, TYR 20, LEU 18, ILE 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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