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Ligand · TOG

TOG · 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy) phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid

TOG, 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy) phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid (C16 H24 N4 O10 P2 S, 526.4 g/mol), in the MolNFT structures on GenesisL1…

Component
TOG
Formula
C16 H24 N4 O10 P2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

TOG in 2 structures; the first of them:

  • 5ESS · Crystal Structure of M. tuberculosis MenD bound to Mg2+ and covalent intermediate I (a… · TOG C601 · binds PRO27, GLY28, GLU55, THR78, THR81, ALA82, ASN85, ASN117 and 22 more
  • 6O0G · M.TB mend bound to intermediate I and inhibitor · TOG D601 · binds PRO27, GLY28, GLU55, THR78, THR81, ALA82, ASN117, GLN118 and 21 more

Residues it binds most

GLY 4, ALA 4, ASP 4, THR 4, ASN 4, ARG 4, ILE 4, PRO 4, GLN 4, GLU 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ACT · Acetate ion
  • FMT · Formic acid
  • GOL · Glycerol
  • AKG · 2-oxoglutaric acid
  • DNA · 1,4-dihydroxy-2-naphthoic acid
  • DPO · Diphosphate
  • CL · Chloride ion
  • PGE · Triethylene glycol

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