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Ligand · XX3

XX3 · (1S)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene

XX3, (1S)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene (C6 H5 N O6, 187.1 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…

Component
XX3
Formula
C6 H5 N O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

XX3 in 2 structures; the first of them:

  • 2IGA · Structure of Homoprotocatechuate 2,3-Dioxygenase from B. fuscum in complex with reactive… · XX3 B600 · binds HIS155, ASN157, TRP192, HIS200, ALA203, HIS214, ARG243, HIS248 and 8 more
  • 2IGA · Structure of homoprotocatechuate 2,3-dioxygenase from B. fuscum in complex with reactive… · XX3 B600 · binds HIS155, ASN157, TRP192, HIS200, ALA203, HIS214, ARG243, HIS248 and 8 more

Residues it binds most

HIS 4, ARG 4, TRP 4, TYR 4, ALA 4, ASN 4, GLU 4, SER 4, VAL 4, GLY 2 (residue and the binding sites it lines).

Found with

  • XX2 · 1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized
  • XXP · 2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid
  • CA · Calcium ion
  • FE2 · Fe (II) ion
  • CL · Chloride ion
  • OXY · Oxygen molecule
  • GOL · Glycerol

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