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Ligand · O1D

O1D · 3-(benzyloxy)aniline

O1D, 3-(benzyloxy)aniline (C13 H13 N O, 199.2 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
O1D
Formula
C13 H13 N O
Class
ligand
Structures
3
PDB entries
2

Binding sites

O1D in 3 structures; the first of them:

  • 5QSI · PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in… · O1D A301 · binds GLU41, LEU42, MET181, THR183
  • 7H4G · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · O1D A201 · binds GLY61, VAL62, TYR64, HIS71, ILE113, ARG115, CYS116, GLN117
  • 5QSI · Pandda analysis group deposition -- crystal structure of human brachyury G177D variant in… · O1D A301 · binds GLU41, LEU42, MET181, THR183

Residues it binds most

GLU 2, LEU 2, MET 2, THR 2, ARG 1, CYS 1, GLN 1, GLY 1, HIS 1, ILE 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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