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Ligand · KXJ

KXJ · N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide

KXJ, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide (C31 H53 N3 O4 S, 563.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
KXJ
Formula
C31 H53 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KXJ in 2 structures; the first of them:

  • 6NR0 · SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor… · KXJ A402 · binds PHE119, PHE131, LEU134, LEU138, TYR139, PRO140, PHE143, ILE169 and 11 more
  • 6NR0 · SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor… · KXJ A402 · binds PHE119, PHE131, LEU134, LEU138, TYR139, PRO140, PHE143, ILE169 and 11 more

Residues it binds most

PHE 4, LEU 4, ILE 4, PRO 4, VAL 4, GLN 4, GLU 4, GLY 4, HIS 4, SER 4 (residue and the binding sites it lines).

Found with

  • KXG · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
  • NA · Sodium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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