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Ligand · TLH

TLH · (5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one

TLH, (5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one (C12 H11 F3 O3 S, 292.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
TLH
Formula
C12 H11 F3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TLH in 2 structures; the first of them:

  • 4C73 · Crystal structure of M. tuberculosis C171Q KasA in complex with TLM6 · TLH A1427 · binds GLN171, ALA215, PHE237, HIS276, MET277, VAL278, ALA279, PRO280 and 10 more
  • 4C73 · Crystal structure of M. tuberculosis C171Q kasa in complex with TLM6 · TLH A1427 · binds GLN171, ALA215, PHE237, HIS276, MET277, VAL278, ALA279, PRO280 and 10 more

Residues it binds most

GLY 4, HIS 4, PHE 4, ALA 4, THR 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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