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Ligand · OS2

OS2 · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-{[(prop-2-yn-1-yl) sulfanyl]methyl}pyrrolidin-3-ol

OS2, (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-{[(prop-2-yn-1-yl) sulfanyl]methyl}pyrrolidin-3-ol (C15 H19 N5 O S, 317.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding…

Component
OS2
Formula
C15 H19 N5 O S
Class
ligand
Structures
3
PDB entries
2

Binding sites

OS2 in 3 structures; the first of them:

  • 6DYU · Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine… · OS2 A302 · binds ALA9, MET10, ILE52, VAL78, ALA79, GLY80, GLN152, PHE153 and 11 more
  • 6DYU · Crystal structure of helicobacter pylori 5'-METHYLTHIOADENOSINE/S- adenosyl homocysteine… · OS2 A302 · binds ALA9, MET10, ILE52, VAL78, ALA79, GLY80, GLN152, PHE153 and 9 more
  • 6DYZ · Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… · OS2 A307 · binds THR18, HIS61, HIS65, PRO69, ALA94, CYS95, GLY96, ILE172 and 11 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol
  • NH4 · Ammonium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion

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