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Structure paper

TitleEctopic suicide inhibition of thioredoxin glutathione reductase.
Journal, issue, pagesFree Radic Biol Med, Vol. 147, Page 200-211, Year 2020
Publish dateMay 24, 2019 (structure data deposition date)
AuthorsSilvestri, I. / Lyu, H. / Fata, F. / Banta, P.R. / Mattei, B. / Ippoliti, R. / Bellelli, A. / Pitari, G. / Ardini, M. / Petukhova, V. ...Silvestri, I. / Lyu, H. / Fata, F. / Banta, P.R. / Mattei, B. / Ippoliti, R. / Bellelli, A. / Pitari, G. / Ardini, M. / Petukhova, V. / Thatcher, G.R.J. / Petukhov, P.A. / Williams, D.L. / Angelucci, F.
External linksFree Radic Biol Med / PubMed:31870799
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-6rtj:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6rtm:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6rto:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 4 hours of soaking
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-FXH:
1-[(dimethylamino)methyl]naphthalen-2-ol

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-K:
Unknown entry

ChemComp-KJH:
1-methylidenenaphthalen-2-one

Source
  • schistosoma mansoni (invertebrata)
KeywordsFLAVOPROTEIN / Fragment / secondary site / Schistosomiasis / FAD/NAD linked reductase / time-resolved structural studies

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