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Ligand · SIO

SIO · methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

SIO, methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid (C16 H25 N O11, 407.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
SIO
Formula
C16 H25 N O11
Class
sugar
Structures
6
PDB entries
3

Binding sites

SIO in 6 structures; the first of them:

  • 3CL5 · Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O-diacetyl sialic acid · SIO A1 · binds THR114, SER116, LEU161, TYR184, PHE211, LEU212, SER213, ASN214 and 3 more
  • 3I1L · Structure of porcine torovirus Hemagglutinin-Esterase in complex with its receptor · SIO A1001 · binds TYR118, ARG161, GLY163, THR164, VAL166, MET174, LEU180, ILE182 and 10 more
  • 4C7W · Crystal structure of Mouse Hepatitis virus strain S Hemagglutinin- esterase in complex… · SIO A801 · binds LEU119, ILE166, TYR189, PHE212, SER216, LYS217, GLY218, SER219 and 4 more
  • 3CL5 · Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O- diacetyl sialic… · SIO A1 · binds THR114, SER116, LEU161, TYR184, PHE211, LEU212, SER213, ASN214 and 3 more
  • 3I1L · Structure of porcine torovirus hemagglutinin-esterase in complex with its receptor · SIO A1001 · binds TYR118, ARG161, GLY163, THR164, VAL166, MET174, LEU180, ILE182 and 10 more
  • 4C7W · Crystal structure of mouse hepatitis virus strain S hemagglutinin- esterase in complex… · SIO A801 · binds LEU119, ILE166, TYR189, PHE212, SER216, LYS217, GLY218, SER219 and 4 more

Residues it binds most

PHE 12, LEU 12, SER 12, TYR 12, ILE 10, MET 6, GLY 10, THR 8, ARG 6, ASN 6 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • K · Potassium ion
  • ACY · Acetic acid
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • GOL · Glycerol

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