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Ligand · 0B4

0B4 · (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one

0B4, (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one (C15 H19 N3 O, 257.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
0B4
Formula
C15 H19 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

0B4 in 2 structures; the first of them:

  • 3WB5 · Crystal Structure of beta secetase in complex with… · 0B4 A507 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE110, TRP115 and 4 more
  • 3WB5 · Crystal structure of beta secetase in complex with (6S)-2-amino-3,6… · 0B4 A507 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE110, TRP115 and 4 more

Residues it binds most

ASP 2, GLY 2, ILE 2, LEU 2, PHE 2, SER 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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