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Ligand · WPJ

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

WPJ, (2R)-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 2 records (1 PDB entry). Every binding site with…

Component
WPJ
Formula
C19 H24 F2 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

WPJ in 2 structures; the first of them:

  • 7KM9 · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in… · WPJ A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, PHE33, LYS34 and 10 more
  • 7KM9 · Crystal structure of dihydrofolate reductase (DHFR) from mycobacterium ulcerans AGY99 in… · WPJ A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, PHE33, LYS34 and 9 more

Residues it binds most

ILE 2, LEU 2, PRO 2, THR 2, ALA 2, ARG 2, ASP 2, HIS 2, LYS 2, PHE 2 (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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