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Ligand · 3SK

3SK · 2-methylbenzoic acid

3SK, 2-methylbenzoic acid (C8 H8 O2, 136.2 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 with it.

Component
3SK
Formula
C8 H8 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

3SK in 4 structures; the first of them:

  • 4RLF · Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid · 3SK A1000 · binds ALA227, TYR228, ALA302, GLY303, GLY325, ILE326, GLY327, SER328 and 5 more
  • 4RLQ · Crystal structure of a benzoate coenzyme A ligase with o-Toluic acid · 3SK A1000 · binds ALA227, TYR228, ALA302, GLY303, GLY325, ILE326, GLY327, SER328 and 4 more
  • 4RLF · Crystal structure of a benzoate coenzyme a ligase with P-toluic acid and O-toluic acid · 3SK A1000 · binds ALA227, TYR228, ALA302, GLY303, GLY325, ILE326, GLY327, SER328 and 5 more
  • 4RLQ · Crystal structure of a benzoate coenzyme a ligase with O-toluic acid · 3SK A1000 · binds ALA227, TYR228, ALA302, GLY303, GLY325, ILE326, GLY327, SER328 and 4 more

Residues it binds most

GLY 8, ALA 8, ILE 8, TYR 8, HIS 8, LEU 8, SER 8, THR 8, LYS 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • 4MA · 4-methylbenzoic acid

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