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Ligand · LSA

LSA · 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

LSA, 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (C7 H5 N O3 S, 183.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
LSA
Formula
C7 H5 N O3 S
Class
ligand
Structures
5
PDB entries
3

Binding sites

LSA in 5 structures; the first of them:

  • 5RSP · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · LSA A201 · binds ALA129, GLY130, PRO136, VAL155, PHE156, ASP157, LEU160
  • 6FJJ · Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic… · LSA A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, LEU140, VAL142, SER196 and 4 more
  • 5RSP · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · LSA A201 · binds ALA129, GLY130, PRO136, PHE156, ASP157, LEU160
  • 6FJJ · Joint neutron and X-ray crystal structure of human carbonic anhydrase IX mimic… · LSA A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, VAL142, LEU197, THR198 and 2 more
  • 7WJV · Crystal structure of human liver fbpase complexed with an covalent inhibitor · LSA A402 · binds LYS50, ILE53, TYR57, VAL70, ILE126, ASP127, LEU129, MET185 and 2 more

Residues it binds most

VAL 4, HIS 2, LEU 5, ASP 3, THR 2, ALA 2, GLN 2, GLY 2, ILE 1, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • AMP · Adenosine monophosphate
  • PMQ · Benzylcarbamic acid
  • MG · Magnesium ion
  • GOL · Glycerol

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