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Ligand · 8QI

8QI · ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl) phosphonic acid

8QI, ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl) phosphonic acid (C11 H19 N5 O10 P2, 443.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every…

Component
8QI
Formula
C11 H19 N5 O10 P2
Class
ligand
Structures
6
PDB entries
3

Binding sites

8QI in 6 structures; the first of them:

  • 7SAN · Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex… · 8QI A301 · binds GLU133, ILE135, ILE136, ASP137, THR138, GLY139, LYS140, THR141 and 7 more
  • 7SB7 · Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex… · 8QI A301 · binds LEU53, LYS54, GLY55, GLU113, ASP114, ILE115, LEU116, ASP117 and 12 more
  • 7SCR · Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine… · 8QI A301 · binds ILE114, THR115, ILE149, ALA150, ASP151, THR152, GLY153, ARG154 and 7 more
  • 7SAN · Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex… · 8QI A301 · binds GLU133, ILE135, ILE136, ASP137, THR138, GLY139, LYS140, THR141 and 7 more
  • 7SB7 · Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex… · 8QI A301 · binds LEU53, LYS54, GLY55, GLU113, ASP114, ILE115, LEU116, ASP117 and 12 more
  • 7SCR · Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine… · 8QI A301 · binds ILE114, THR115, ILE149, ALA150, ASP151, THR152, GLY153, ARG154 and 7 more

Residues it binds most

THR 24, LYS 24, ASP 24, ILE 24, VAL 24, ARG 16, GLY 24, GLU 20, LEU 12, PHE 24 (residue and the binding sites it lines).

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