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Ligand · X3O

X3O · 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide

X3O, 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide (C25 H21 F9 N3 O2 P S, 629.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
X3O
Formula
C25 H21 F9 N3 O2 P S
Class
ligand
Structures
2
PDB entries
2

Binding sites

X3O in 2 structures; the first of them:

  • 8SZM · Crystal structure of E. coli ClpP protease in complex with phosphine oxide compound… · X3O G301 · binds LEU62, PHE63, ALA66, THR93, PHE96, ARG36, LEU37, GLU40 and 8 more
  • 8SZN · Crystal structure of Neisseria meningitidis ClpP protease in complex with phosphine oxide… · X3O V301 · binds ARG27, LEU28, GLU31, ILE33, PHE65, TYR67, LEU95, PHE117 and 10 more

Residues it binds most

LEU 14, PHE 14, ARG 14, ILE 14, GLU 14, TYR 14, THR 14, SER 11, ASP 7, VAL 3 (residue and the binding sites it lines).

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