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Ligand · 5WA

5WA · (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol

5WA, (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol (C17 H20 N4 O4, 344.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
5WA
Formula
C17 H20 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

5WA in 2 structures; the first of them:

  • 3JWF · Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with… · 5WA A208 · binds MET6, VAL7, ALA8, ASN20, LEU21, GLU28, LEU29, VAL32 and 6 more
  • 3JWF · Crystal structure of bacillus anthracis (Y102F) dihydrofolate reductase complexed with… · 5WA A208 · binds MET6, VAL7, ALA8, ASN20, LEU21, GLU28, LEU29, VAL32 and 6 more

Residues it binds most

LEU 4, ALA 4, ASN 4, VAL 4, GLU 4, ILE 4, MET 4, PHE 4, THR 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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