GL1X · GenesisL1 explorer

Ligand · XQI

XQI · Methyl 2-(3,5-dihydroxyphenyl)ethanoate

XQI, Methyl 2-(3,5-dihydroxyphenyl)ethanoate (C9 H10 O4, 182.2 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 ligands…

Component
XQI
Formula
C9 H10 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

XQI in 4 structures; the first of them:

  • 2YE2 · HSP90 inhibitors and drugs from fragment and virtual screening · XQI A1225 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU107, THR109 and 3 more
  • 2YEI · HSP90 inhibitors and drugs from fragment and virtual screening · XQI A1225 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU107, PHE138 and 1 more
  • 2YE2 · HSP90 inhibitors and drugs from fragment and virtual screening · XQI A1225 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU107, THR109 and 3 more
  • 2YEI · HSP90 inhibitors and drugs from fragment and virtual screening · XQI A1225 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU107, PHE138 and 1 more

Residues it binds most

LEU 4, THR 4, ALA 4, ASN 4, ASP 4, MET 4, PHE 4, SER 4, VAL 2 (residue and the binding sites it lines).

Found with

  • XQK · Methyl 5-isoxazol-5-yl-3-methyl-1H-pyrazole-4-carboxylate
  • SO4 · Sulfate ion

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