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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