GL1X · GenesisL1 explorer

Ligand · 3GS

3GS · dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide

3GS, dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide (C16 H14 F N O5 S, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3GS
Formula
C16 H14 F N O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3GS in 2 structures; the first of them:

  • 4W1V · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 3GS A502 · binds PRO24, TYR25, TRP64, TYR157, ALA226, LYS283, ARG400, PHE402 and 6 more
  • 4W1V · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 3GS A502 · binds PRO24, TYR25, TRP64, TYR157, ALA226, LYS283, ARG400, PHE402 and 6 more

Residues it binds most

GLY 4, PHE 4, PRO 4, TYR 4, ALA 4, ARG 4, LYS 4, MET 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
  • PEG · Di(hydroxyethyl)ether

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