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Structure paper

TitleFrom lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Journal, issue, pagesChemistry, Vol. 18, Page 9246-9257, Year 2012
Publish dateApr 29, 2011 (structure data deposition date)
AuthorsBarandun, L.J. / Immekus, F. / Kohler, P.C. / Tonazzi, S. / Wagner, B. / Wendelspiess, S. / Ritschel, T. / Heine, A. / Kansy, M. / Klebe, G. / Diederich, F.
External linksChemistry / PubMed:22736391
MethodsX-ray diffraction
Resolution1.37 - 1.82 Å
Structure data

PDB-3rr4:
tRNA-Guanine Transglycosylase in complex with N-Methyl-lin-Benzoguanine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-3s1g:
tRNA-Guanine Transglycosylase in complex with lin-Benzohypoxanthine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-3sm0:
tRNA-Guanine Transglycosylase in complex with lin-Benzohypoxanthine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-3tll:
tRNA-Guanine Transglycosylase in complex with N-Ethyl-lin-benzoguanine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HRD:
2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-ITE:
2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

ChemComp-AEK:
4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

ChemComp-62D:
6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Source
  • zymomonas mobilis (bacteria)
KeywordsTransferase/transferase inhibitor / TIM BARREL / GLYCOSYLTRANSFERASE / METAL-BINDING / QUEUOSINE / BIOSYNTHESIS / TRANSFERASE / TRNA PROCESSING / TRNA / Transferase-transferase inhibitor complex

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