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Ligand · 1FS

1FS · 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)

1FS, 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) (C20 H9 Cl N4 O6, 436.8 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…

Component
1FS
Formula
C20 H9 Cl N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

1FS in 2 structures; the first of them:

  • 4Y2A · Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor · 1FS A501 · binds LEU107, GLU108, LEU110, ASP111, THR114, LYS127, SER184, ARG188 and 11 more
  • 4Y2A · Crystal structure of coxsackie virus B3 3D polymerase in complex with gpc-N114 inhibitor · 1FS A501 · binds LEU107, GLU108, LEU110, ASP111, THR114, LYS127, SER184, ARG188 and 11 more

Residues it binds most

SER 2, GLY 2, LEU 2, THR 2, TYR 2, ARG 2, ASP 2, CYS 2, GLU 2, HIS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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