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Ligand · JTO

JTO · [2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid

JTO, [2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid (C13 H12 N3 O5 P S, 353.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
JTO
Formula
C13 H12 N3 O5 P S
Class
ligand
Structures
2
PDB entries
2

Binding sites

JTO in 2 structures; the first of them:

  • 7ZSL · human purine nucleoside phosphorylase in complex with JS-196 · JTO A301 · binds GLY32, SER33, ARG84, HIS86, TYR88, ASN115, ALA116, ALA117 and 13 more
  • 7ZSQ · human purine nucleoside phosphorylase in complex with JS-555 · JTO A301 · binds GLY35, SER36, ARG88, HIS90, TYR92, ASN119, ALA120, ALA121 and 14 more

Residues it binds most

GLY 9, VAL 9, ALA 9, ASN 9, HIS 9, SER 9, TYR 9, PHE 9, ARG 9, GLU 9 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • P4K · polyethylene glycol
  • TEW · 6-tungstotellurate(VI)
  • SO4 · Sulfate ion
  • GOL · Glycerol

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