6FMU

Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol

Summary for 6FMU

Entry DOI	10.2210/pdb6fmu/pdb
Descriptor	Thioredoxin glutathione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, ... (5 entities in total)
Functional Keywords	fragment, allosteric pocket, schistosomiasis, fad/nad linked reductase, flavoprotein
Biological source	Schistosoma mansoni
Total number of polymer chains	1
Total formula weight	66198.18
Authors	Silvestri, I.,Fata, F.,MIele, A.E.,Boumis, G.,Williams, D.L.,Angelucci, F. (deposition date: 2018-02-02, release date: 2018-06-06, Last modification date: 2024-01-17)
Primary citation	Silvestri, I.,Lyu, H.,Fata, F.,Boumis, G.,Miele, A.E.,Ardini, M.,Ippoliti, R.,Bellelli, A.,Jadhav, A.,Lea, W.A.,Simeonov, A.,Cheng, Q.,Arner, E.S.J.,Thatcher, G.R.J.,Petukhov, P.A.,Williams, D.L.,Angelucci, F. Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13:2190-2202, 2018 Cited by PubMed: 29800515 DOI: 10.1021/acschembio.8b00349 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation