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Ligand · VXX

VXX · Methyl vanillate

VXX, Methyl vanillate (C9 H10 O4, 182.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
VXX
Formula
C9 H10 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

VXX in 4 structures; the first of them:

  • 1WB6 · S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with… · VXX A2086 · binds ALA954, MET955, LEU958, SER978, GLY979, ASP980, TRP982, ILE1019 and 3 more
  • 2YE3 · HSP90 inhibitors and drugs from fragment and virtual screening · VXX A1224 · binds LEU48, ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97 and 6 more
  • 1WB6 · S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with… · VXX A2086 · binds ALA954, MET955, LEU958, SER978, GLY979, ASP980, TRP982, ILE1019 and 3 more
  • 2YE3 · HSP90 inhibitors and drugs from fragment and virtual screening · VXX A1224 · binds LEU48, ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97 and 6 more

Residues it binds most

ALA 6, LEU 6, ASN 6, ASP 6, GLY 6, ILE 6, MET 6, SER 6, HIS 4, THR 2 (residue and the binding sites it lines).

Found with

  • CD · Cadmium ion
  • ACT · Acetate ion
  • GOL · Glycerol

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