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Ligand · AT9

AT9 · [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

AT9, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate (C11 H17 F N5 O13 P3, 539.2 g/mol), in the MolNFT structures on…

Component
AT9
Formula
C11 H17 F N5 O13 P3
Class
ligand
Structures
4
PDB entries
3

Binding sites

AT9 in 4 structures; the first of them:

  • 7ED5 · A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase · AT9 A1004 · binds VAL31, ARG33, PHE35, LYS50, ASN52, CYS53, ARG55, TYR69 and 13 more
  • 8BCR · DENV3 Methyltransferase in complexed with AT-9010 and SAH · AT9 B301 · binds LYS14, LEU17, ASN18, GLN19, LEU20, SER21, ARG22, PHE25 and 7 more
  • 8PEM · Zika Methyltransferase in complex with AT-9010 and SAH · AT9 A301 · binds LYS19, LEU22, ASN23, GLN24, MET25, SER26, ALA27, PHE30 and 6 more
  • 7ED5 · A dual mechanism of action of at-527 against SARS-cov-2 polymerase · AT9 A1004 · binds VAL31, ARG33, PHE35, LYS50, CYS53, ARG55, VAL71, LYS73 and 8 more

Residues it binds most

LYS 6, SER 5, ASP 5, ARG 5, ASN 5, LEU 5, THR 4, C 3, CYS 5, TYR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SAH · S-adenosyl-L-homocysteine
  • ZN · Zinc ion
  • SAM · S-adenosylmethionine
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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