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Ligand · B71

B71 · 3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium

B71, 3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium (C17 H32 N O7 P2 +1, 424.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
B71
Formula
C17 H32 N O7 P2 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

B71 in 4 structures; the first of them:

  • 2ZEU · S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715 · B71 A1201 · binds ARG44, LEU47, ILE48, VAL69, HIS73, LEU77, ASP80, ARG89 and 12 more
  • 2ZEV · S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and… · B71 A1201 · binds ARG44, LEU47, ILE48, VAL69, HIS73, LEU77, ASP80, ASP84 and 12 more
  • 2ZEU · S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with bph-715 · B71 A1201 · binds ARG44, LEU47, ILE48, VAL69, HIS73, LEU77, ASP80, ARG89 and 12 more
  • 2ZEV · S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, ipp and… · B71 A1201 · binds ARG44, LEU47, ILE48, VAL69, HIS73, LEU77, ASP80, ASP84 and 12 more

Residues it binds most

LEU 8, ASP 8, ARG 8, GLN 8, LYS 8, THR 8, HIS 8, PHE 8, VAL 8, TYR 6 (residue and the binding sites it lines).

Found with

  • IPE · 3-methylbut-3-enyl trihydrogen diphosphate
  • MG · Magnesium ion

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