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Ligand · 2JX

2JX · 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

2JX, 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione (C10 H9 N3 O2 S, 235.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2JX
Formula
C10 H9 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2JX in 2 structures; the first of them:

  • 4NI1 · Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound · 2JX A203 · binds LYS99, SER102, HIS103, LEU106, ASP126, TYR35, TRP37, GLU101 and 1 more
  • 4NI1 · Qauternary R co-liganded hemoglobin structure in complex with a thiol containing compound · 2JX A203 · binds LYS99, SER102, HIS103, LEU106, ASP126, TYR35, TRP37, GLU101 and 1 more

Residues it binds most

LEU 6, LYS 8, HIS 4, TYR 6, VAL 4, ALA 4, ARG 4, ASP 4, CYS 4, GLU 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • MBN · Toluene
  • CMO · Carbon monoxide

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