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Ligand · 4GA

4GA · 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium

4GA, 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium (C9 H19 N2 O7 P2 +1, 329.2 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…

Component
4GA
Formula
C9 H19 N2 O7 P2 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

4GA in 4 structures; the first of them:

  • 4GA3 · Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 · 4GA A1001 · binds PHE99, LEU100, ASP103, ASP107, ARG112, THR167, GLN171, ASP174 and 7 more
  • 5CUU · Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with… · 4GA A903 · binds LYS237, ASP252, LYS254, TYR261, ASP323, ASP324, TYR368, LYS369
  • 4GA3 · Crystal structure of human farnesyl diphosphate synthase in complex with bph-1260 · 4GA A1001 · binds PHE99, LEU100, ASP103, ASP107, ARG112, THR167, GLN171, ASP174 and 7 more
  • 5CUU · Crystal structure of trypanosoma cruzi vacuolar soluble pyrophosphatases in complex with… · 4GA A903 · binds LYS237, ASP252, LYS254, TYR261, ASP323, ASP324, TYR368, LYS369

Residues it binds most

ASP 6, LYS 6, TYR 6, GLN 2, THR 2, ARG 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • MLT · D-malate
  • PO4 · Phosphate ion

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