GL1X · GenesisL1 explorer

Ligand · WU5

WU5 · (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)

WU5, (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) (C25 H41 F O2, 392.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
WU5
Formula
C25 H41 F O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

WU5 in 2 structures; the first of them:

  • 8ETE · Bile Salt Hydrolase from B. longum with covalent inhibitor bound · WU5 A401 · binds CYS2, ARG18, LEU20, ASP21, TRP22, TYR26, MET61, MET66 and 9 more
  • 8ETF · Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound · WU5 H401 · binds CYS2, ARG16, LEU18, ASP19, TYR20, TYR24, GLN26, ALA56 and 13 more

Residues it binds most

LEU 10, TYR 10, SER 10, CYS 10, ALA 8, ASN 10, PHE 10, ARG 10, ASP 10, GLN 9 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion

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