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Ligand · WR6

WR6 · [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate

WR6, [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate (C40 H79 O10 P, 751.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
WR6
Formula
C40 H79 O10 P
Class
ligand
Structures
2
PDB entries
2

Binding sites

WR6 in 2 structures; the first of them:

  • 8P1I · Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288… · WR6 B1101 · binds LEU25, LYS29, VAL382, PHE386, MET447, SER450, ALA451, ILE454 and 17 more
  • 8QZQ · Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor · WR6 B1101 · binds ILE18, LEU25, LEU28, LYS29, VAL382, PHE386, MET447, SER450 and 18 more

Residues it binds most

ALA 2, LEU 2, VAL 2, ILE 2, PHE 2, SER 2, ARG 2, ASN 2, CYS 2, GLN 2 (residue and the binding sites it lines).

Found with

  • PG8 · 1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol)
  • WQW · 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline
  • XE9 · [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine

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