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Ligand · 3QE

3QE · {[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)

3QE, {[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) (C12 H21 N5 O9 P2, 441.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3QE
Formula
C12 H21 N5 O9 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3QE in 2 structures; the first of them:

  • 4RHU · Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase… · 3QE A301 · binds LEU65, LYS66, GLY67, ASP123, VAL124, VAL125, ASP126, SER127 and 12 more
  • 4RHU · Crystal structures of mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase… · 3QE A301 · binds LEU65, LYS66, GLY67, ASP123, VAL124, VAL125, ASP126, SER127 and 12 more

Residues it binds most

ASP 4, VAL 4, LEU 4, GLY 4, LYS 4, ARG 4, PHE 4, SER 4, THR 4 (residue and the binding sites it lines).

Found with

  • 45T · {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl) propane-1,2-diyl]bis(oxyethane-2,1-diyl) }bis(phosphonic acid)
  • MG · Magnesium ion

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