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Ligand · T9K

T9K · methyl 2-(4-cyanophenoxy)ethanoate

T9K, methyl 2-(4-cyanophenoxy)ethanoate (C10 H9 N O3, 191.2 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…

Component
T9K
Formula
C10 H9 N O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

T9K in 3 structures; the first of them:

  • 7BCL · Notum Fragment 792 · T9K A505 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 6 more
  • 7GOM · PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in… · T9K B201 · binds PHE109, MET112, ARG143, GLN146, GLY1, GLY3, PHE4, ASP99 and 6 more
  • 7BCL · Notum fragment 792 · T9K A505 · binds GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236, PHE268 and 4 more

Residues it binds most

PHE 3, ALA 3, GLY 3, THR 3, SER 2, VAL 3, HIS 2, ILE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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