GL1X · GenesisL1 explorer

Ligand · VE4

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

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 (C19 H20 N3 O9 P, 465.4 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
VE4
Formula
C19 H20 N3 O9 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

VE4 in 2 structures; the first of them:

  • 6XT0 · Salmonella typhimurium tryptophan synthase complexed with dioxindolyl-L-alanine and… · VE4 B401 · binds ALA85, HIS86, LYS87, GLU109, THR110, GLY111, ALA112, GLY113 and 22 more
  • 6XT0 · Salmonella typhimurium tryptophan synthase complexed with dioxindolyl- L-alanine and… · VE4 B401 · binds ALA85, HIS86, LYS87, GLU109, THR110, GLY111, GLY113, GLN114 and 18 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
  • 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
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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