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Ligand · DH9

DH9 · (2S,3S,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid

DH9, (2S,3S,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid (C29 H55 N O6, 513.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
DH9
Formula
C29 H55 N O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

DH9 in 3 structures; the first of them:

  • 5VNS · M.tb Antigen 85C Acyl-Enzyme Intermediate with Tetrahydrolipstatin · DH9 A401 · binds GLY39, LEU40, PHE76, SER124, MET125, SER148, PHE150, LEU161 and 7 more
  • 5VNS · M.TB antigen 85C acyl-enzyme intermediate with tetrahydrolipstatin · DH9 A401 · binds GLY39, LEU40, PHE76, SER124, MET125, SER148, PHE150, LEU161 and 7 more
  • 6KSM · Staphylococcus aureus lipase -orlistat complex · DH9 A403 · binds GLY16, PHE17, LEU18, TYR29, TYR32, HIS115, SER116, MET117 and 9 more

Residues it binds most

LEU 4, PHE 4, VAL 2, HIS 4, SER 4, ALA 4, GLY 4, ILE 4, MET 4, TYR 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • BUA · butanoic acid
  • DAO · Lauric acid
  • STE · Stearic acid
  • CA · Calcium ion
  • ZN · Zinc ion

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