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Ligand · O59

O59 · octane-1,8-diyl disulfamate

O59, octane-1,8-diyl disulfamate (C8 H20 N2 O6 S2, 304.4 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 and the ligands found…

Component
O59
Formula
C8 H20 N2 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

O59 in 2 structures; the first of them:

  • 3IBL · The crystal structure of the human carbonic anhydrase II in complex with an aliphatic… · O59 A300 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, GLY132 and 8 more
  • 3IBL · The crystal structure of the human carbonic anhydrase II in complex with an aliphatic… · O59 A300 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, GLY132 and 8 more

Residues it binds most

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

Found with

  • HGB · 4-(hydroxymercury)benzoic acid
  • ZN · Zinc ion
  • CL · Chloride ion

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