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Ligand · TOI

TOI · (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid

TOI, (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl…

Component
TOI
Formula
C26 H35 N4 O16 P2 S +1
Class
ligand
Structures
2
PDB entries
2

Binding sites

TOI in 2 structures; the first of them:

  • 5ESU · Crystal Structure of M. tuberculosis MenD bound to Mg2+ and Covalent Intermediate II (a… · TOI C601 · binds PRO27, GLY28, SER29, ARG30, GLU55, THR78, THR81, ALA82 and 26 more
  • 6O04 · M.TB mend intii bound with inhibitor · TOI D602 · binds PRO27, GLY28, SER29, ARG30, GLU55, THR78, THR81, ALA82 and 26 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • FMT · Formic acid
  • DNA · 1,4-dihydroxy-2-naphthoic acid
  • CL · Chloride ion
  • ACT · Acetate ion
  • BME · Beta-mercaptoethanol

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