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Ligand · 3G8

3G8 · 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one

3G8, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one (C18 H17 N O3 S, 327.4 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…

Component
3G8
Formula
C18 H17 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3G8 in 2 structures; the first of them:

  • 4W1W · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 3G8 A502 · binds PRO24, TYR25, TRP64, TYR157, GLY172, GLY173, ALA226, ARG400 and 6 more
  • 4W1W · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 3G8 A502 · binds PRO24, TYR25, TRP64, TYR157, GLY172, GLY173, ALA226, ARG400 and 6 more

Residues it binds most

GLY 4, PRO 4, TYR 4, ALA 4, ARG 4, MET 4, PHE 4, THR 4, TRP 4 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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