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Ligand · X9D

X9D · 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate

X9D, 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate (C19 H20 N3 O9 P, 465.4 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
X9D
Formula
C19 H20 N3 O9 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

X9D in 2 structures; the first of them:

  • 6XT0 · Salmonella typhimurium tryptophan synthase complexed with dioxindolyl-L-alanine and… · X9D B400 · binds ALA85, HIS86, LYS87, GLU109, THR110, GLY111, ALA112, GLY113 and 23 more
  • 6XT0 · Salmonella typhimurium tryptophan synthase complexed with dioxindolyl- L-alanine and… · X9D B400 · binds ALA85, HIS86, LYS87, GLU109, THR110, GLY111, ALA112, GLY113 and 19 more

Residues it binds most

GLY 2, ALA 2, SER 2, CYS 2, GLU 2, HIS 2, LEU 2, THR 2, ASN 2, GLN 2 (residue and the binding sites it lines).

Found with

  • 1GP · Sn-glycerol-1-phosphate
  • VE4 · 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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