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Ligand · R4A

R4A · Bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-N,N-dimethylanilinato(2-)}ruthenium

R4A, Bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-N,N-dimethylanilinato(2-)}ruthenium (C44 H61 N7 O Ru, 805.1 g/mol), in the MolNFT structures on GenesisL1…

Component
R4A
Formula
C44 H61 N7 O Ru
Class
ligand
Structures
6
PDB entries
3

Binding sites

R4A in 6 structures; the first of them:

  • 2BT3 · AGAO in complex with Ruthenium-C4-wire at 1.73 angstroms · R4A A1631 · binds GLU102, PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, ASP298 and 12 more
  • 2CFD · AGAO in complex with wc4l3 (Ru-wire inhibitor, 4-carbon linker, lambda enantiomer, data… · R4A A705 · binds GLU102, PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, TYR302 and 15 more
  • 2CFG · AGAO in complex with wc4d3 (Ru-wire inhibitor, 4-carbon linker, delta enantiomer, data… · R4A A1630 · binds GLU102, PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, ASP298 and 13 more
  • 2BT3 · Agao in complex with ruthenium-C4-wire at 1.73 ångströms · R4A A1631 · binds GLU102, PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, ASP298 and 12 more
  • 2CFD · Agao in complex with WC4L3 (ru-wire inhibitor, 4-carbon linker, lambda enantiomer, data… · R4A A705 · binds GLU102, PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, TYR302 and 15 more
  • 2CFG · Agao in complex with WC4D3 (ru-wire inhibitor, 4-carbon linker, delta enantiomer, data… · R4A A1630 · binds GLU102, PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, ASP298 and 13 more

Residues it binds most

TYR 10, PHE 10, LEU 10, TRP 10, ALA 10, ASN 10, ASP 10, ARG 10, GLU 10, GLY 10 (residue and the binding sites it lines).

Found with

  • CU · Copper (II) ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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