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Ligand · WWE

WWE · 3-dodecylsulfanyl-3-methyl-butanoic acid

WWE, 3-dodecylsulfanyl-3-methyl-butanoic acid (C17 H34 O2 S, 302.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
WWE
Formula
C17 H34 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

WWE in 2 structures; the first of them:

  • 8QT0 · Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 · WWE B101 · binds PHE96, ARG97, PHE119, PHE131, LEU134, ALA135, LEU138, TYR139 and 10 more
  • 8QTU · Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+ · WWE B101 · binds PHE96, PHE119, PHE131, ALA135, LEU138, TYR139, PRO140, PHE143 and 11 more

Residues it binds most

PHE 2, ILE 2, LEU 2, ALA 2, ASP 2, HIS 2, LYS 2, PRO 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • NAD · Nicotinamide-adenine-dinucleotide
  • PEG · Di(hydroxyethyl)ether

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