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Ligand · WG5

WG5 · 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid

WG5, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid (C18 H10 F3 N O3 S2, 409.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
WG5
Formula
C18 H10 F3 N O3 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

WG5 in 2 structures; the first of them:

  • 8UBR · Complex of the phosphorylated human cystic fibrosis transmembrane conductance regulator… · WG5 A1508 · binds LYS95, PHE310, ILE344, MET348, VAL920, GLY921, ALA923, ASP924 and 7 more
  • 8V81 · Phosphorylated, ATP-bound, inhibitor 172-bound E1371Q human cystic fibrosis transmembrane… · WG5 A1511 · binds LYS95, PHE310, PHE311, ILE344, MET348, GLN353, VAL920, GLY921 and 10 more

Residues it binds most

ILE 2, ALA 2, PHE 2, ASN 2, ASP 2, GLY 2, LYS 2, MET 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • CLR · Cholesterol
  • MG · Magnesium ion
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

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