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Ligand · YXA

YXA · 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid

YXA, 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid (C15 H12 Br N O3, 334.2 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…

Component
YXA
Formula
C15 H12 Br N O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

YXA in 4 structures; the first of them:

  • 7MCU · Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with… · YXA H402 · binds VAL98, GLY100, TYR103, ARG104, THR338, HIS339, ILE342, ILE346 and 2 more
  • 7MDB · Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A… · YXA H401 · binds VAL98, GLY100, ALA103, ARG104, THR107, THR338, HIS339, ILE342 and 2 more
  • 7MCU · Crystal structure of staphylococcus aureus cystathionine gamma lyase, holoenzyme with… · YXA H402 · binds GLY100, TYR103, ARG104, THR338, HIS339, ILE342, ILE346, GLU350 and 1 more
  • 7MDB · Crystal structure of staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A… · YXA H401 · binds VAL98, GLY100, ALA103, ARG104, THR107, THR338, HIS339, ILE342 and 1 more

Residues it binds most

ILE 6, THR 6, ARG 6, GLY 6, HIS 6, GLU 5, ALA 4, VAL 3, TYR 2 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • NA · Sodium ion
  • GOL · Glycerol
  • CAC · Cacodylate ion
  • FLC · Citrate anion

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