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| 1 | Glutathione Peroxidase Revisited—Simulation of the Catalytic Cycle by Computer-Assisted Molecular Modelling显示文摘Glutathione peroxidase, the first example of selenoproteins identified in mammals, was subjected to force field calculations and molecular dynamics in order to enable a clearer comprehension of enzymatic selenium catalysis. Starting from the established X-ray structure of bovine GPX, all kinetically defined intermediates and enzyme substrate complexes were modelled. The models thus obtained support the hypothesis that the essential steps of the catalysis are three distinct redox changes of the active site selenium which, in the ground state, presents itself at the surface of selenoperoxidases as the center of a characteristic triad built by selenocysteine, glutarnine and tryptophan. In GPX, four arginine residues and a lysine residue provide an electrostatic architecture which, in each reductive step, directs the donor substrate GSH towards the catalytic center in such a way that 1ts sulfhydryl group must react with the selenium moiety. To this end, different equally efficient modes of substrate binding appear possible. The models are consistent with substrate specificity data, kinetic pattern and other functional characteristics of the enzyme. Comparison of molecular models of GPX with those of other members of the GPX superfamily reveals that the cosubstrate binding mechanisrns are unique for the classical type of cytosolic glutathione peroxidases but cannot operate e. g. in plasma GPX and phospholipid hydroperoxide GPX. The structural differences between the selenoperoxidases, shown to be relevant to their specificities, are discussed in terms of functional diversification within the GPX | K. -D. AUMANN N. BEDORF R. BRIGELIUS-FLOHED D. SCHOMBURG AND L. FLOHE(Gesellschaft fur Biotechnologische Forschung mbH (GBF) Mascheroder Weg 1, D-38124 Braunschweig, Germany Deutsches Institut fur Ernahrungsforschung (DIfE) Arthur-Scheunert-Allee 114 | 1997 | Biomedical and Environmental Sciences1997，10，2： | 6 |
| 2 | Relation of a TNF gene polymorphism to severe sepsis in trauma patients显示文摘 | Majetschak M Flohe S Obertacke U | 1999 | Ann Surg1999，230，2： | 2 |
| 3 | Redox regulation of NFkappa B aetivation显示文摘 | Flohe L Brigelius-Flohe R Saliou C | 1997 | Free Radic Biol Med1997，22，6： | 2 |
| 4 | Human heat shock protein 60 induces maturation of dendritic cells versus a Thl-promoting phenotype 显示文摘 | Flohe SB Bruggemann J Lendemans S | 2003 | J Immunol2003，170，5： | 1 |
| 5 | Peroxircdoxins 显示文摘 | Hofmarm B Hecht H J Flohe L | 2002 | The Journal of Biological Chemistry2002，383，34： | 1 |
| 6 | Influence of surgical intervention in the immune response of severely injured patients显示文摘 | Flohe S Lendemans S Schade F U | 2004 | Intensive Care Med2004，30，1： | 1 |
| 7 | Packor Lredox regnlation of NF-κB activation显示文摘 | Flohe L Brigelins Flohe R Salion C | 1997 | Free Radic Biol Med1997，22，6： | 1 |
| 8 | Peroxiredoxins显示文摘 | Hofmann B Hecht HJ Flohe L | | 0，，3： | 1 |
| 9 | Antigen-pulsed epidermal Langerhans cells protect susceptible mice from infection with the intracellular parasite Leishmania major显示文摘 | Flohe SB Bauer C Flohe S | 1998 | Eur J Immunol1998，28，： | 1 |
| 10 | Relation of a TNF gene polymorphism to severe sepsis in trauma patients显示文摘 | Majetschak M Flohe S Obertacke U | 1999 | Ann Surg1999，230，2： | 1 |
| 11 | Enhanced proinflammatory response to endotoxin after priming of macrophages with lead ions显示文摘 | Flohe S B Bruggemann J Herder C | 2002 | J Leukoc Biol2002，71，3： | 1 |
| 12 | Overexpression of PHGPx inhibits hydroperoxide-induced oxidation,NF kappaB activation and apoptosis and affects oxLDL-mediated proliferation of rabbit aortic smooth muscle cells显示文摘 | Brigelius Flohe R Maurer S Lotzer K | | 0，，： | 1 |
| 13 | Sublethal hemorrhagic shock reduces tumor necrosis factor-alpha-producing capacity indifferent cell compartments显示文摘 | FLOHE S ACKERMANN M REUTER M | 2000 | Eur Cytokine Netw2000，11，3： | 1 |
| 14 | Cutting edge:heat shook prorein 60 is putative endogenous ligand of the Toll-like receptor-4 complex显示文摘 | Ohashi K Burkart V Flohe S | 2000 | J Immunol2000，164，2： | 1 |
| 15 | Dendritic cells during polymicrobial sepsis rapidly mature but fail to initiate a protective Thl-type immune response 显示文摘 | Flohe SB Agrawal H Schmitz D | 2006 | J Leukoc Biol2006，79，3： | 1 |
| 16 | How to define severely injured patients? - An Injury Severity Score (ISS) based approach alone is not sufficient 显示文摘 | Paffrath T Lefering R FlohE S | 2014 | Injury2014，453，： | 1 |
| 17 | Assay of glutathione peroxidase 显示文摘 | Flohe L Gunzler WA | 1984 | Methods Enzymol1984，105，： | 1 |
| 18 | Invited review:deterioration of the immune system after trauma:signals and cellular mechanisms显示文摘 | Flohé SB Flohe S Schade FU | | 0，，06： | 1 |
| 19 | Stimulation of Fas sig- naling down-regulates activity of neutrophils from major trauma pa- tients with SIRS显示文摘 | Paunel-Gfrgtlltl A IAigters T Flohe S | 2011 | Immunobiology2011，216，3： | 1 |
| 20 | Fractures of the shaft of the femur显示文摘 | Logters T Windolf J Flohe S | 2009 | Unfallchirurg2009，112，7： | 1 |
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