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Ligand · Y52

Y52 · methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate

Y52, methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate (C20 H19 N O4 S2, 401.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
Y52
Formula
C20 H19 N O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y52 in 2 structures; the first of them:

  • 4U3F · Cytochrome bc1 complex from chicken with designed inhibitor bound · Y52 C503 · binds LEU122, MET125, ALA126, ALA128, PHE129, TYR132, VAL133, MET139 and 13 more
  • 4U3F · Cytochrome BC1 complex from chicken with designed inhibitor bound · Y52 C503 · binds LEU122, MET125, ALA126, ALA128, PHE129, TYR132, VAL133, MET139 and 13 more

Residues it binds most

ALA 4, TYR 4, ILE 4, LEU 4, MET 4, PHE 4, GLU 4, GLY 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • CDL · Cardiolipin
  • FES · Fe2/s2 (inorganic) cluster
  • HEC · Heme C
  • HEM · Protoporphyrin IX containing Fe
  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
  • U10 · Ubiquinone-10
  • BOG · octyl beta-D-glucopyranoside
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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