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Ligand · 8TH

8TH · chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium

8TH, chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium (C30 H35 Cl Ir N3 O4 S2, 793.4 g/mol), in the MolNFT structures on…

Component
8TH
Formula
C30 H35 Cl Ir N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8TH in 2 structures; the first of them:

  • 5BRU · Catalytic Improvement of an Artificial Metalloenzyme by Computational Design · 8TH A302 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE130 and 11 more
  • 5BRU · Catalytic improvement of an artificial metalloenzyme by computational design · 8TH A302 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE130 and 11 more

Residues it binds most

HIS 2, VAL 2, MET 2, PRO 2, THR 2, GLN 2, GLU 2, GLY 2, ILE 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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