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Structure paper

TitleFragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 6802-6820, Year 2020
Publish dateApr 30, 2019 (structure data deposition date)
AuthorsHassaan, E. / Hohn, C. / Ehrmann, F.R. / Goetzke, F.W. / Movsisyan, L. / Hufner-Wulsdorf, T. / Sebastiani, M. / Hartsch, A. / Reuter, K. / Diederich, F. / Klebe, G.
External linksJ. Med. Chem. / PubMed:32515955
MethodsX-ray diffraction
Resolution1.665 - 1.746 Å
Structure data

PDB-6rkq:
Crystal Structure of TGT in complex with N2-methyl-8-(prop-1-yn-1-yl)-3H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine
Method: X-RAY DIFFRACTION / Resolution: 1.665 Å

PDB-6rkt:
Crystal Structure of TGT in complex with N2-methyl-1H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine
Method: X-RAY DIFFRACTION / Resolution: 1.746 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-K75:
(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-K7H:
~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine

Source
  • zymomonas mobilis subsp. mobilis (strain atcc 31821 / zm4 / cp4) (bacteria)
  • zymomonas mobilis (bacteria)
KeywordsTRANSFERASE / TGT / TRNA / GUANINE EXCHANGE ENZYME / PROTEIN INTERFACE / transglycosylase

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