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Ligand · WU8

WU8 · 3-dodecylsulfanyl-2,2-dimethyl-propanoic acid

WU8, 3-dodecylsulfanyl-2,2-dimethyl-propanoic 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…

Component
WU8
Formula
C17 H34 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

WU8 in 2 structures; the first of them:

  • 8QT2 · Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 · WU8 B101 · binds PHE96, ARG97, LEU103, PHE119, PHE131, ALA135, LEU138, TYR139 and 11 more
  • 8QT4 · Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+ · WU8 B101 · binds ILE93, PHE96, LEU103, PHE119, ALA135, LEU138, TYR139, PRO140 and 12 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • BU3 · (R,R)-2,3-butanediol
  • EDO · 1,2-ethanediol
  • NAD · Nicotinamide-adenine-dinucleotide
  • DMS · Dimethyl sulfoxide
  • PGE · Triethylene glycol

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