GL1X · GenesisL1 explorer

Ligand · 0U5

0U5 · (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one

0U5, (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one (C31 H36 N6 O3, 540.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
0U5
Formula
C31 H36 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

0U5 in 2 structures; the first of them:

  • 4FGG · S. aureus dihydrofolate reductase co-crystallized with propyl-DAP… · 0U5 A200 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, LYS32 and 7 more
  • 4FGG · S. aureus dihydrofolate reductase co-crystallized with propyl-dap… · 0U5 A200 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, LYS32 and 7 more

Residues it binds most

LEU 2, VAL 2, ALA 2, ARG 2, ASP 2, ILE 2, LYS 2, PHE 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • GOL · Glycerol

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