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Ligand · 1U0

1U0 · 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate

1U0, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate (C15 H23 N3 O9 P2 S, 483.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1U0
Formula
C15 H23 N3 O9 P2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1U0 in 2 structures; the first of them:

  • 4KXY · Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP · 1U0 A709 · binds HIS37, SER40, LYS75, HIS77, HIS110, GLY123, SER124, LEU125 and 21 more
  • 4KXY · Human transketolase in complex with thdp analogue (R)-2-(1,2- dihydroxyethyl)-3-deaza-thdp · 1U0 A709 · binds HIS37, SER40, LYS75, HIS77, HIS110, GLY123, SER124, LEU125 and 21 more

Residues it binds most

GLY 4, ASP 4, HIS 4, GLU 4, GLN 4, LEU 4, LYS 4, SER 4, ARG 4, ASN 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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