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Ligand · 20V

20V · 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid

20V, 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid (C18 H15 N4 O14 P S2, 606.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries).…

Component
20V
Formula
C18 H15 N4 O14 P S2
Class
ligand
Structures
5
PDB entries
3

Binding sites

20V in 5 structures; the first of them:

  • 4LQ3 · Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor… · 20V A601 · binds GLU323, VAL324, THR325, ASN326, LYS352, LEU353, ASP354, LYS357
  • 4O4R · Murine Norovirus RdRp in complex with PPNDS · 20V A601 · binds MET219, MET221, TYR341, LEU391, ARG392, ARG393, LEU406, GLN414 and 2 more
  • 8JV8 · Cryo-EM structure of the panda P2X7 receptor in complex with PPNDS · 20V A403 · binds GLN143, LYS145, VAL173, LYS174, SER286, LEU287, TYR288, ASN292 and 6 more
  • 4LQ3 · Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor… · 20V A601 · binds GLU323, VAL324, THR325, ASN326, LYS352, LEU353, ASP354, LYS357
  • 4O4R · Murine norovirus rdrp in complex with ppnds · 20V A601 · binds MET219, MET221, TYR341, LEU391, ARG392, ARG393, LEU406, GLN414 and 2 more

Residues it binds most

LYS 23, LEU 19, ARG 17, GLN 17, MET 10, TYR 15, GLU 6, PHE 12, SER 11, ILE 7 (residue and the binding sites it lines).

Found with

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

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