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Ligand · VAE

VAE · 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid

VAE, 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid (C16 H12 O6, 300.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
VAE
Formula
C16 H12 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

VAE in 2 structures; the first of them:

  • 3RV6 · Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor… · VAE A451 · binds ILE207, LEU268, ALA269, GLY270, THR271, GLU294, GLU297, HIS298 and 12 more
  • 3RV6 · Structure of a M. tuberculosis salicylate synthase, mbti, in complex with an inhibitor… · VAE A451 · binds ILE207, LEU268, ALA269, GLY270, THR271, GLU294, GLU297, HIS298 and 12 more

Residues it binds most

ALA 2, GLU 2, GLY 2, ARG 2, LEU 2, THR 2, HIS 2, ILE 2, LYS 2, TYR 2 (residue and the binding sites it lines).

Found with

  • RVA · 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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