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Ligand · S1T

S1T · 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate

S1T, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate (C15 H23 N3 O8 P2 S, 467.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
S1T
Formula
C15 H23 N3 O8 P2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S1T in 2 structures; the first of them:

  • 2Q5L · X-ray structure of phenylpyruvate decarboxylase in complex with… · S1T A2002 · binds MET380, GLY381, ASP382, ALA402, GLY403, MET404, GLY428, ASP429 and 18 more
  • 2Q5L · X-ray structure of phenylpyruvate decarboxylase in complex with 2-(1… · S1T A2002 · binds MET380, GLY381, ASP382, ALA402, GLY403, MET404, GLY428, ASP429 and 18 more

Residues it binds most

GLY 4, MET 4, ALA 4, ASP 4, ASN 4, GLU 4, ILE 4, LEU 4, PRO 4, SER 4 (residue and the binding sites it lines).

Found with

  • R1T · 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
  • MG · Magnesium ion
  • CL · Chloride ion
  • GOL · Glycerol

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