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Ligand · D3M

D3M · 3,6-dichloro-2-methoxybenzoic acid

D3M, 3,6-dichloro-2-methoxybenzoic acid (C8 H6 Cl2 O3, 221.0 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
D3M
Formula
C8 H6 Cl2 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

D3M in 6 structures; the first of them:

  • 3GB4 · Crystal Structure of Dicamba Monooxygenase with Non-heme Cobalt and Dicamba · D3M A601 · binds LEU158, LEU202, PHE206, ASN230, ILE232, GLY249, HIS251, LEU282 and 2 more
  • 3GL2 · Crystal structure of dicamba monooxygenase bound to dicamba · D3M A600 · binds LEU158, ALA161, LEU202, PHE206, ASN218, ASN230, ILE232, SER247 and 5 more
  • 3GTS · Crystal Structure of Dicamba Monooxygenase with Non-heme Iron and Dicamba · D3M A601 · binds LEU158, ALA161, LEU202, PHE206, ASN230, ILE232, SER247, GLY249 and 4 more
  • 3GB4 · Crystal structure of dicamba monooxygenase with non-heme cobalt and dicamba · D3M A601 · binds LEU158, LEU202, PHE206, ASN230, ILE232, GLY249, HIS251, LEU282 and 2 more
  • 3GL2 · Crystal structure of dicamba monooxygenase bound to dicamba · D3M A600 · binds LEU158, ALA161, LEU202, PHE206, ASN218, ASN230, ILE232, SER247 and 5 more
  • 3GTS · Crystal structure of dicamba monooxygenase with non-heme iron and dicamba · D3M A601 · binds LEU158, ALA161, LEU202, PHE206, ASN230, ILE232, SER247, GLY249 and 4 more

Residues it binds most

LEU 12, ASN 12, GLY 12, HIS 12, ILE 12, TRP 12, PHE 10, SER 6, ALA 4, MET 4 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • FE · Fe (III) ion
  • CO · Cobalt (II) ion

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