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Ligand · 9AR

9AR · 9-hydroxy aristolochic acid

9AR, 9-hydroxy aristolochic acid (C17 H11 N O8, 357.3 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 found…

Component
9AR
Formula
C17 H11 N O8
Class
ligand
Structures
4
PDB entries
2

Binding sites

9AR in 4 structures; the first of them:

  • 1FV0 · First structural evidence of the inhibition of phospholipase A2 by aristolochic acid… · 9AR A401 · binds LEU2, PHE5, ILE9, ALA18, ILE19, TYR22, SER23, TYR28 and 10 more
  • 4YZ7 · Crystal structure of Piratoxin I (PrTX-I) complexed to aristolochic acid · 9AR B202 · binds LEU111, PRO113, LYS7, LEU10, GLN11, GLY14
  • 1FV0 · First structural evidence of the inhibition of phospholipase A2 by aristolochic acid… · 9AR A401 · binds LEU2, PHE5, ILE9, ALA18, ILE19, TYR22, SER23, TYR28 and 10 more
  • 4YZ7 · Crystal structure of piratoxin I (prtx-I) complexed to aristolochic acid · 9AR B202 · binds LEU111, PRO113, LYS7, LEU10, GLN11, GLY14

Residues it binds most

LEU 4, TYR 2, CYS 2, GLY 4, ILE 2, LYS 4, PHE 2, ALA 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • DIO · 1,4-diethylene dioxide
  • GOL · Glycerol
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol

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