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Ligand · HXX

HXX · 3,6-dichloro-2-hydroxybenzoic acid

HXX, 3,6-dichloro-2-hydroxybenzoic acid (C7 H4 Cl2 O3, 207.0 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…

Component
HXX
Formula
C7 H4 Cl2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

HXX in 4 structures; the first of them:

  • 3GL0 · Crystal structure of dicamba monooxygenase bound to 3,6 dichlorosalicylic acid (DCSA) · HXX A600 · binds LEU202, MET203, PHE206, ASN230, ILE232, SER247, GLY249, HIS251 and 4 more
  • 3GOB · Crystal Structure of Dicamba Monooxygenase with Non-heme Cobalt and DCSA · HXX A601 · binds ASN218, ASN230, ILE232, SER247, GLY249, HIS251, SER267, LEU282 and 1 more
  • 3GL0 · Crystal structure of dicamba monooxygenase bound to 3,6 dichlorosalicylic acid (dcsa) · HXX A600 · binds LEU202, MET203, PHE206, ASN230, ILE232, SER247, GLY249, HIS251 and 4 more
  • 3GOB · Crystal structure of dicamba monooxygenase with non-heme cobalt and dcsa · HXX A601 · binds ASN218, ASN230, ILE232, SER247, GLY249, HIS251, SER267, LEU282 and 1 more

Residues it binds most

LEU 10, ASN 10, SER 8, GLY 10, HIS 10, ILE 10, PHE 8, TRP 8, MET 4, ALA 2 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • CO · Cobalt (II) ion
  • FE · Fe (III) ion
  • OXY · Oxygen molecule
  • EDO · 1,2-ethanediol

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