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Ligand · SQS

SQS · (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol

SQS, (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol (C18 H37 N O2, 299.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
SQS
Formula
C18 H37 N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

SQS in 3 structures; the first of them:

  • 3VZB · Crystal structure of Sphingosine Kinase 1 · SQS A401 · binds ASP81, GLY113, LEU167, SER168, ALA170, PHE173, ILE174, VAL177 and 16 more
  • 8C6D · Production of antigenically stable enterovirus A71 virus-like particles in Pichia… · SQS A401 · binds ILE111, ASP112, ILE113, THR114, PHE131, PHE135, PHE137, TYR153 and 15 more
  • 3VZB · Crystal structure of sphingosine kinase 1 · SQS A401 · binds ASP81, GLY113, LEU167, SER168, ALA170, PHE173, ILE174, VAL177 and 16 more

Residues it binds most

LEU 4, PHE 5, MET 5, ASP 5, ALA 4, GLY 4, ILE 5, VAL 5, SER 5, THR 5 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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