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Ligand · UPT

UPT · 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione

UPT, 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione (C9 H11 N2 O7 P S, 322.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
UPT
Formula
C9 H11 N2 O7 P S
Class
ligand
Structures
2
PDB entries
1

Binding sites

UPT in 2 structures; the first of them:

  • 4R09 · Crystal structure of human TLR8 in complex with ORN06S · UPT A903 · binds PRO264, PHE265, PHE320, PHE346, ARG375, ILE403, PHE467, TYR468 and 5 more
  • 4R09 · Crystal structure of human TLR8 in complex with ORN06S · UPT A903 · binds PRO264, PHE265, PHE320, PHE346, ARG375, ILE403, PHE467, TYR468 and 5 more

Residues it binds most

PHE 8, ILE 8, ALA 8, ARG 8, GLY 8, HIS 8, PRO 8, TYR 8, ASN 2 (residue and the binding sites it lines).

Found with

  • 06S · O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate
  • URI · Uridine
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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