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Ligand · TLJ

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

TLJ, (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one (C13 H18 O2 S, 238.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
TLJ
Formula
C13 H18 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TLJ in 2 structures; the first of them:

  • 4C70 · Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4 · TLJ A1423 · binds GLN171, PHE210, PHE237, HIS276, MET277, VAL278, ALA279, PRO280 and 11 more
  • 4C70 · Crystal structure of M. tuberculosis C171Q kasa in complex with TLM4 · TLJ A1423 · binds GLN171, PHE210, PHE237, HIS276, MET277, VAL278, ALA279, PRO280 and 11 more

Residues it binds most

GLY 4, PHE 4, HIS 4, THR 4, ALA 4, GLN 4, ILE 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
  • GOL · Glycerol
  • IPA · Isopropyl alcohol

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