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Ligand · S21

S21 · 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione

S21, 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione (C10 H6 F3 N O4, 261.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
S21
Formula
C10 H6 F3 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S21 in 2 structures; the first of them:

  • 3AZ8 · Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in… · S21 D231 · binds HIS133, PHE134, ILE139, MET140, PRO141, GLY142, VAL143, GLN145 and 12 more
  • 3AZ8 · Beta-hydroxyacyl-acyl carrier protein dehydratase (fabz) from plasmodium falciparum in… · S21 D231 · binds HIS133, PHE134, ILE139, MET140, PRO141, GLY142, VAL143, GLN145 and 12 more

Residues it binds most

PHE 8, GLN 8, HIS 8, PRO 8, VAL 8, ALA 8, GLU 8, GLY 8, ILE 8, LEU 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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