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Ligand · HWI

HWI · 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid

HWI, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid (C20 H27 N5 O4, 401.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
HWI
Formula
C20 H27 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

HWI in 2 structures; the first of them:

  • 5SD5 · Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to… · HWI A202 · binds ILE5, TRP6, ALA7, ASP19, ILE20, ARG23, ASP27, GLN28 and 10 more
  • 5SD5 · Crystal structure of dihydrofolate reductase from mycobacterium tuberculosis bound to… · HWI A202 · binds ILE5, TRP6, ALA7, ILE20, ARG23, ASP27, GLN28, PHE31 and 7 more

Residues it binds most

ARG 2, ILE 2, LEU 2, ASP 2, THR 2, ALA 2, GLN 2, PHE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol
  • IMD · Imidazole

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