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Ligand · D7K

D7K · 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

D7K, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium (C20 H28 N4 O11 P3 S +1, 625.4 g/mol), in the…

Component
D7K
Formula
C20 H28 N4 O11 P3 S +1
Class
ligand
Structures
8
PDB entries
4

Binding sites

D7K in 8 structures; the first of them:

  • 3D7K · Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP · D7K A572 · binds GLY393, ALA394, LEU395, THR396, TYR397, GLY419, SER420, MET421 and 23 more
  • 3FSJ · Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP · D7K X601 · binds HIS281, GLU375, SER376, THR377, SER378, THR379, PHE397, GLY401 and 14 more
  • 3FZN · Intermediate analogue in benzoylformate decarboxylase · D7K A601 · binds HIS281, GLU375, SER376, THR377, SER378, PHE397, GLY401, GLY402 and 24 more
  • 3IAE · Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate · D7K A571 · binds GLY393, ALA394, LEU395, THR396, TYR397, LEU398, GLY419, SER420 and 24 more
  • 3D7K · Crystal structure of benzaldehyde lyase in complex with the inhibitor mbp · D7K A572 · binds GLY393, ALA394, LEU395, THR396, TYR397, GLY419, SER420, MET421 and 23 more
  • 3FSJ · Crystal structure of benzoylformate decarboxylase in complex with the inhibitor mbp · D7K X601 · binds HIS281, GLU375, SER376, THR377, SER378, THR379, PHE397, GLY401 and 14 more
  • 3FZN · Intermediate analogue in benzoylformate decarboxylase · D7K A601 · binds HIS281, GLU375, SER376, THR377, SER378, PHE397, GLY401, GLY402 and 24 more
  • 3IAE · Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate · D7K A571 · binds GLY393, ALA394, LEU395, THR396, TYR397, LEU398, GLY419, SER420 and 24 more

Residues it binds most

GLY 18, SER 18, LEU 18, THR 18, ASN 18, ALA 18, TYR 18, HIS 18, GLU 18, PHE 10 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • PEG · Di(hydroxyethyl)ether

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