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Ligand · NIQ

NIQ · 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione

NIQ, 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione (C13 H22 N4 O2, 266.3 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…

Component
NIQ
Formula
C13 H22 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

NIQ in 2 structures; the first of them:

  • 4B2X · Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor · NIQ A400 · binds SER41, THR42, LEU45, TYR113, TYR114, PHE118, LYS249, VAL250 and 5 more
  • 4B2X · Pseudomonas aeruginosa rmla in complex with allosteric inhibitor · NIQ A400 · binds SER41, THR42, LEU45, TYR113, TYR114, PHE118, LYS249, VAL250 and 5 more

Residues it binds most

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

Found with

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

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