Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding

@article{Costa2018ComputationalSO,
  title={Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding},
  author={Clauber Henrique Costa and Amanda Ruslana Santana Oliveira and Alberto Monteiro dos Santos and Kauȇ Santana da Costa and Anderson H. Lima and Cl{\'a}udio Nahum Alves and Jer{\^o}nimo Lameira},
  journal={Journal of Biomolecular Structure and Dynamics},
  year={2018},
  volume={37},
  pages={4374 - 4383}
}
Abstract The enzyme 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) is mainly involved in the regulation of cholesterol biosynthesis. HMGR catalyses the reduction of 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) to mevalonate at the expense of two NADPH molecules in a two-step reversible reaction. In the present study, we constructed a model of human HMGR (hHMGR) to explore the conformational changes of HMGR in complex with HMG-CoA and NADPH. In addition, we analysed the complete… 
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