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Ligand · WQW

WQW · 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline

WQW, 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline (C17 H24 Cl N5 +2, 333.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
WQW
Formula
C17 H24 Cl N5 +2
Class
ligand
Structures
2
PDB entries
2

Binding sites

WQW in 2 structures; the first of them:

  • 8P1I · Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288… · WQW A1101 · binds LEU404, ASP407, ASP408, VAL411, ARG418, ILE438, ALA441, LEU442 and 9 more
  • 8QZL · Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288… · WQW A1101 · binds LEU404, ASP407, ASP408, VAL411, GLN437, ILE438, ALA441, LEU442 and 10 more

Residues it binds most

LEU 3, ASP 3, ILE 3, ALA 3, ARG 3, GLU 3, LYS 3, PHE 3, VAL 3, GLN 2 (residue and the binding sites it lines).

Found with

  • PG8 · 1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol)
  • WR6 · [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate

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