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Ligand · JU9

JU9 · [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid

JU9, [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid (C15 H14 N3 O5 P S, 379.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
JU9
Formula
C15 H14 N3 O5 P S
Class
ligand
Structures
2
PDB entries
2

Binding sites

JU9 in 2 structures; the first of them:

  • 7ZSM · human purine nucleoside phosphorylase in complex with JS-375 · JU9 A301 · binds GLY32, SER33, ARG84, HIS86, TYR88, ASN115, ALA116, ALA117 and 13 more
  • 8C25 · purine nucleoside phosphorylase in complex with JS-375 · JU9 A301 · binds GLY35, SER36, ARG88, HIS90, TYR92, THR118, ASN119, ALA120 and 14 more

Residues it binds most

GLY 3, ALA 3, VAL 3, ASN 3, HIS 3, SER 3, TYR 3, THR 3, ARG 3, GLU 3 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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