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Ligand · NWL

NWL · 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione

NWL, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione (C13 H16 N4 O2, 260.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
NWL
Formula
C13 H16 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

NWL in 2 structures; the first of them:

  • 4B3U · Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor · NWL A400 · binds LEU45, TYR114, GLY115, HIS119, LYS249, VAL250, ALA251, GLU255 and 3 more
  • 4B3U · Pseudomonas aeruginosa rmla in complex with allosteric inhibitor · NWL A400 · binds LEU45, TYR114, GLY115, HIS119, LYS249, VAL250, ALA251, GLU255 and 3 more

Residues it binds most

ALA 8, ARG 8, GLN 8, GLU 8, HIS 8, ILE 8, LEU 8, LYS 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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