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Ligand · XY1

XY1 · 4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl] diazenyl]benzoic acid

XY1, 4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl] diazenyl]benzoic acid (C15 H15 N3 O3, 285.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
XY1
Formula
C15 H15 N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

XY1 in 2 structures; the first of them:

  • 4UQ2 · Crystal structure of HLA-A1101 in complex with an azobenzene-containing peptide · XY1 E4 · binds ARG65, ASN66, ALA69, THR73, ASN66, ILE2, MET3, TYR5 and 2 more
  • 4UQ3 · Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide · XY1 E4 · binds LYS66, THR73, ASP77, ARG97, HIS114, TYR116, TRP147, VAL152 and 7 more

Residues it binds most

TYR 4, LEU 2, ARG 4, ASN 2, THR 4, MET 2, ALA 2, ASP 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • IPA · Isopropyl alcohol

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