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Ligand · 3AQ

3AQ · (4-hydroxyphenyl)acetonitrile

3AQ, (4-hydroxyphenyl)acetonitrile (C8 H7 N O, 133.2 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 with…

Component
3AQ
Formula
C8 H7 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3AQ in 2 structures; the first of them:

  • 4TXS · An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based… · 3AQ A601 · binds CYS366, MET414, TYR415, TYR448
  • 4TXS · An ligand-observed mass spectrometry-based approach integrated into the fragment based… · 3AQ A601 · binds CYS366, MET414, TYR415, TYR448

Residues it binds most

TYR 8, SER 6, CYS 8, MET 8, LEU 6, PRO 4, ARG 2 (residue and the binding sites it lines).

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