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Ligand · AIN

AIN · 2-(acetyloxy)benzoic acid

AIN, 2-(acetyloxy)benzoic acid (C9 H8 O4, 180.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
AIN
Formula
C9 H8 O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

AIN in 3 structures; the first of them:

  • 6MQF · Myotoxin II from Bothrops moojeni complexed with Acetylsalicylic acid · AIN A202 · binds LEU2, LEU5, GLY23, GLY30, VAL31, HIS48, LYS49, TYR52 and 1 more
  • 8J3W · Cryo-EM structure of aspirin-bound ABCC4 · AIN A1401 · binds PHE324, LEU363, LEU367, GLY991, MET992, TRP995
  • 6MQF · Myotoxin II from bothrops moojeni complexed with acetylsalicylic acid · AIN A202 · binds LEU2, LEU5, GLY23, GLY30, VAL31, HIS48, LYS49, TYR52 and 1 more

Residues it binds most

LEU 5, GLY 5, LYS 4, HIS 4, PRO 4, TYR 4, VAL 4, MET 1, PHE 1, TRP 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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