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Ligand · C21

C21 · Thiophene-2-carboxylic acid

C21, Thiophene-2-carboxylic acid (C5 H4 O2 S, 128.2 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…

Component
C21
Formula
C5 H4 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

C21 in 4 structures; the first of them:

  • 2HDQ · AmpC beta-lactamase in complex with 2-carboxythiophene · C21 A501 · binds ARG148, TYR150, GLU272, LYS290, ALA292, LEU293
  • 4RMN · Crystal structure of a benzoate coenzyme A ligase with 2-Thiophene Carboxylic acid · C21 A1000 · binds ALA227, TYR228, ALA302, GLY303, GLY325, ILE326, GLY327, SER328 and 5 more
  • 2HDQ · Ampc beta-lactamase in complex with 2-carboxythiophene · C21 A501 · binds ARG148, TYR150, GLU272, LYS290, ALA292, LEU293
  • 4RMN · Crystal structure of a benzoate coenzyme a ligase with 2-thiophene carboxylic acid · C21 A1000 · binds ALA227, TYR228, ALA302, GLY303, GLY325, ILE326, GLY327, SER328 and 5 more

Residues it binds most

ALA 26, GLY 20, PRO 18, ILE 14, TYR 20, LYS 14, LEU 10, GLN 12, SER 12, ARG 10 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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