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HIV-1 protease
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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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click to enlarge (11.5MB)
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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: April 8th, 2025.
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