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Ligand · TLE

TLE · (5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one

TLE, (5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one (C12 H16 O2 S, 224.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
TLE
Formula
C12 H16 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TLE in 2 structures; the first of them:

  • 4C6Z · Crystal structure of M. tuberculosis C171Q KasA in complex with TLM3 · TLE A1420 · binds GLN171, PHE237, HIS276, MET277, VAL278, ALA279, PRO280, HIS311 and 9 more
  • 4C6Z · Crystal structure of M. tuberculosis C171Q kasa in complex with TLM3 · TLE A1420 · binds GLN171, PHE237, HIS276, MET277, VAL278, ALA279, PRO280, HIS311 and 9 more

Residues it binds most

GLY 4, HIS 4, PHE 4, THR 4, ALA 4, GLN 4, MET 4, PRO 4, VAL 4 (residue and the binding sites it lines).

Found with

  • M7U · (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
  • K · Potassium ion
  • EDO · 1,2-ethanediol

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