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HIV-1 protease


Upon ligand binding, the HIV-1 protease undergoes a significant conformational change between its open (blue cartoon, 1hhp). and its closed form (red cartoon, 1ajx). Application of a normal mode perturbation of dq=60 in the direction of mode 11 transforms the open form into the closed form (gold animated cartoon). Using this perturbed template in molecular replacement (AMoRe) it becomes possible to solve the structure of the closed form. The final R-free after CNS refinement of the perturbed model is 46.0, compared to 54.1 when using the open form as a template (see also Molmovdb for an analysis of this protein's movement).

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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.