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Ligand · 54D

54D · methyl thiophene-2-carboxylate

54D, methyl thiophene-2-carboxylate (C6 H6 O2 S, 142.2 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…

Component
54D
Formula
C6 H6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

54D in 2 structures; the first of them:

  • 3D6B · 2.2 A crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei · 54D C501 · binds ARG97, SER98, VAL102, LEU106, THR171, ILE257, LYS331, TYR373 and 1 more
  • 3D6B · 2.2 a crystal structure of glutaryl-CoA dehydrogenase from burkholderia pseudomallei · 54D C501 · binds ARG97, SER98, VAL102, LEU106, THR171, ILE257, LYS331, TYR373 and 1 more

Residues it binds most

ARG 2, GLU 2, ILE 2, LEU 2, LYS 2, SER 2, THR 2, TYR 2, VAL 2 (residue and the binding sites it lines).

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