Molecular Dynamics Reveal Binding Mode of Glutathionylspermidine by Trypanothione Synthetase

PLoS ONE

Volumn 8, Issue 2, 2013, Pages

  Koch, Oliver ^a,b,g   Cappel, Daniel ^c,h   Nocker, Monika ^c   Jäger, Timo ^b,i   Flohé, Leopold ^d   Sotriffer, Christoph A ^c   Selzer, Paul M ^a,e,f  

^a Intervet Innovation GmbH   (Germany)

^b Molisa GmbH   (Germany)

^c UNIVERSITY OF WÜRZBURG   (Germany)

^d OTTO VON GUERICKE UNIVERSITY   (Germany)

^e UNIVERSITY OF TÜBINGEN   (Germany)

^f UNIVERSITY OF GLASGOW   (United Kingdom)

^g TU DORTMUND UNIVERSITY   (Germany)

^h SCHRÖDINGER INC   (United States)

ⁱ HELMHOLTZ CENTRE FOR INFECTION RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE TRIPHOSPHATE; GLUTATHIONE DERIVATIVE; GLUTATHIONYLSPERMIDINE; MAGNESIUM ION; SPERMIDINE; TRYPANOTHIONE; TRYPANOTHIONE SYNTHETASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING KINETICS; BINDING SITE; CATALYSIS; CHEMICAL MODEL; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENZYME SUBSTRATE; GLUTATHIONYLATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN BINDING; PROTEIN SYNTHESIS;

AMIDE SYNTHASES; COMPUTATIONAL BIOLOGY; GLUTATHIONE; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; SPERMIDINE;

EID: 84874521821     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0056788     Document Type: Article

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