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Ligand · 9K9

9K9 · 2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3, 4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one

9K9, 2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3, 4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one (C10 H12 N5 O7 P, 345.2 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
9K9
Formula
C10 H12 N5 O7 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

9K9 in 4 structures; the first of them:

  • 5ZSL · Crystal structure of monkey TLR7 in complex with GGUUGG · 9K9 B916 · binds THR532, ASP555, LEU557, GLY584, ILE585, THR586, TYR264, PHE351 and 6 more
  • 5ZSM · Crystal structure of monkey TLR7 in complex with GGUCCC · 9K9 B914 · binds TYR264, PHE351, LEU353, GLN354, VAL355, TYR356, VAL381, PHE408 and 7 more
  • 5ZSL · Crystal structure of monkey TLR7 in complex with gguugg · 9K9 B916 · binds THR532, ASP555, LEU557, GLY584, ILE585, THR586, TYR264, PHE351 and 6 more
  • 5ZSM · Crystal structure of monkey TLR7 in complex with gguccc · 9K9 B914 · binds TYR264, PHE351, LEU353, GLN354, TYR356, VAL381, PHE408, LYS432 and 6 more

Residues it binds most

LEU 8, PHE 8, THR 8, TYR 8, VAL 8, ASP 8, GLN 8, GLY 8, ILE 8, LYS 8 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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