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Ligand · PQ0

PQ0 · 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

PQ0, 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (C7 H5 N5 O, 175.2 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
PQ0
Formula
C7 H5 N5 O
Class
ligand
Structures
12
PDB entries
6

Binding sites

PQ0 in 12 structures; the first of them:

  • 1IT8 · Crystal structure of archaeosine tRNA-guanine transglycosylase from Pyrococcus horikoshii… · PQ0 A602 · binds ASP95, SER96, SER98, PHE99, MET102, THR127, ASP130, PRO132 and 8 more
  • 1P0B · Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed… · PQ0 A900 · binds ASP102, SER103, GLY105, TYR106, ASP156, CYS158, ILE201, GLN203 and 7 more
  • 2PWV · tRNA guanine transglycosylase E235Q mutant in complex with preQ0 · PQ0 A500 · binds ASP102, SER103, TYR106, ASP156, CYS158, ILE201, GLN203, GLY229 and 6 more
  • 2QII · Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed… · PQ0 A500 · binds ASP102, SER103, TYR106, ASP156, CYS158, ILE201, GLN203, GLY229 and 6 more
  • 3GCA · The structural basis for recognition of the preQ0 metabolite by an unusually small… · PQ0 A34 · binds G5, U6, C7, G11, A14, C15, C16, A28 and 2 more
  • 4FGC · Crystal Structure of Active Site Mutant C55A of Nitrile Reductase QueF, Bound to… · PQ0 B201 · binds PHE33, PHE46, VAL77, GLU78, SER79, LYS80, ALA55, PRO56 and 5 more
  • 1IT8 · Crystal structure of archaeosine tRNA-guanine transglycosylase from pyrococcus horikoshii… · PQ0 A602 · binds ASP95, SER96, SER98, PHE99, MET102, THR127, ASP130, PRO132 and 8 more
  • 1P0B · Crystal structure of tRNA-guanine transglycosylase (tgt) from zymomonas mobilis complexed… · PQ0 A900 · binds ASP102, SER103, GLY105, TYR106, ASP156, CYS158, ILE201, GLN203 and 7 more
  • 2PWV · TRNA guanine transglycosylase E235Q mutant in complex with PREQ0 · PQ0 A500 · binds ASP102, SER103, TYR106, ASP156, CYS158, ILE201, GLN203, GLY229 and 6 more
  • 2QII · Crystal structure of tRNA-guanine transglycosylase (tgt) from zymomonas mobilis complexed… · PQ0 A500 · binds ASP102, SER103, TYR106, ASP156, CYS158, ILE201, GLN203, GLY229 and 6 more
  • 3GCA · The structural basis for recognition of the PREQ0 metabolite by an unusually small… · PQ0 A34 · binds G5, U6, C7, G11, A14, C15, C16, A28 and 2 more
  • 4FGC · Crystal structure of active site mutant C55A of nitrile reductase quef, bound to… · PQ0 B201 · binds PHE33, PHE46, VAL77, GLU78, SER79, LYS80, ALA55, PRO56 and 5 more

Residues it binds most

PHE 10, GLY 8, ASP 12, SER 16, VAL 16, GLU 8, ALA 14, ILE 14, PRO 10, C 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol
  • CA · Calcium ion
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol

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