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Ligand · THT

THT · Trans-2-hexadecenoyl-(N-acetyl-cysteamine)-thioester

THT, Trans-2-hexadecenoyl-(N-acetyl-cysteamine)-thioester (C20 H39 N O2 S, 357.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
THT
Formula
C20 H39 N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

THT in 2 structures; the first of them:

  • 1BVR · M.TB. enoyl-acp reductase (inha) in complex with NAD+ and C16-fatty-acyl-substrate · THT A1302 · binds GLY96, GLN100, MET103, PHE149, PRO156, ALA157, TYR158, PRO193 and 5 more
  • 1BVR · M.TB. enoyl-acp reductase (inha) in complex with NAD+ and C16-fatty- acyl-substrate · THT A1302 · binds GLY96, GLN100, MET103, PHE149, PRO156, ALA157, TYR158, PRO193 and 5 more

Residues it binds most

ALA 8, ILE 8, MET 8, PRO 8, GLN 8, GLY 8, LEU 8, PHE 8, TYR 8 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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