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Ligand · HE9

HE9 · methyl 3,4-bis(oxidanyl)benzoate

HE9, methyl 3,4-bis(oxidanyl)benzoate (C8 H8 O4, 168.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
HE9
Formula
C8 H8 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

HE9 in 2 structures; the first of them:

  • 7DPR · E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate · HE9 A301 · binds VAL43, ASN46, ALA47, GLU50, VAL71, GLN72, ASP73, ILE78 and 6 more
  • 7DPR · E. COLI gyrb ATPase domain in complex with methyl 3,4- dihydroxybenzoate · HE9 A301 · binds VAL43, ASN46, ALA47, GLU50, VAL71, GLN72, ASP73, ILE78 and 5 more

Residues it binds most

VAL 4, ILE 4, MET 4, ALA 4, ASN 4, ASP 4, GLN 4, GLU 4, THR 4 (residue and the binding sites it lines).

Found with

  • AX7 · 1H-benzimidazol-2-amine
  • PO4 · Phosphate ion

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