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Ligand · R1T

R1T · 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate

R1T, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-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 6 records (3 PDB entries). Every…

Component
R1T
Formula
C15 H23 N3 O8 P2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

R1T in 6 structures; the first of them:

  • 2Q5L · X-ray structure of phenylpyruvate decarboxylase in complex with… · R1T A2004 · binds MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404, GLY428 and 19 more
  • 2VBG · The complex structure of the branched-chain keto acid decarboxylase (KdcA) from… · R1T A1549 · binds GLN377, GLY378, THR379, GLY402, SER403, ILE404, GLY428, ASP429 and 21 more
  • 3DUF · Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme… · R1T A1370 · binds PHE74, TYR102, ARG103, ILE142, ILE143, ILE144, GLY172, ASP173 and 16 more
  • 2Q5L · X-ray structure of phenylpyruvate decarboxylase in complex with 2-(1… · R1T A2004 · binds MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404, GLY428 and 19 more
  • 2VBG · The complex structure of the branched-chain keto acid decarboxylase (kdca) from… · R1T A1549 · binds GLN377, GLY378, THR379, GLY402, SER403, ILE404, GLY428, ASP429 and 21 more
  • 3DUF · Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme… · R1T A1370 · binds PHE74, TYR102, ARG103, ILE142, ILE143, ILE144, GLY172, ASP173 and 16 more

Residues it binds most

GLY 16, ILE 16, GLU 16, ASP 16, HIS 12, PHE 10, ALA 12, ASN 16, GLN 12, LEU 16 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • S1T · 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
  • K · Potassium ion
  • CL · Chloride ion
  • GOL · Glycerol

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