Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking

Summary for 6RTM

DescriptorThioredoxin glutathione reductase, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... (6 entities in total)
Functional Keywordsfragment, secondary site, schistosomiasis, fad/nad linked reductase, flavoprotein, time-resolved structural studies
Biological sourceSchistosoma mansoni
Total number of polymer chains1
Total molecular weight66389.22
Angelucci, F.,Silvestri, I.,Fata, F.,Williams, D.L. (deposition date: 2019-05-24, release date: 2020-01-08, Last modification date: 2020-01-15)
Primary citation
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.
Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic. Biol. Med., 147:200-211, 2019
PubMed: 31870799 (PDB entries with the same primary citation)
DOI: 10.1016/j.freeradbiomed.2019.12.019
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23420 1.0% 5.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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