GL1X · GenesisL1 explorer

Ligand · WPD

WPD · (2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

WPD, (2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid (C19 H24 F2 N4 O4, 410.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
WPD
Formula
C19 H24 F2 N4 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

WPD in 4 structures; the first of them:

  • 7KM7 · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in… · WPD A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, HIS32, PHE33 and 11 more
  • 7KM8 · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in… · WPD A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, HIS32, PHE33 and 14 more
  • 7KM7 · Crystal structure of dihydrofolate reductase (DHFR) from mycobacterium ulcerans AGY99 in… · WPD A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, PHE33, LYS34 and 8 more
  • 7KM8 · Crystal structure of dihydrofolate reductase (DHFR) from mycobacterium ulcerans AGY99 in… · WPD A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, PHE33, LYS34 and 10 more

Residues it binds most

ILE 6, LEU 6, ARG 6, HIS 6, PRO 6, THR 6, ALA 6, ASP 6, LYS 6, PHE 6 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • BR · Bromide ion
  • CL · Chloride ion

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