NDLI: The maturation of HIV-1 protease precursor studied by discrete molecular dynamics

Content Provider	PubMed Central
Author	Kimura, S. Caldarini, M. Broglia, R. A. Dokholyan, N. V. Tiana, G.
Abstract	The equilibrium properties of a HIV-1-protease precursor are studied by means of an efficient molecular dynamics scheme, which allows for the simulation of the folding of the protein monomers and their dimerization into an active form, and compare them with those of the mature protein. The model can reproduce several experimental observables, including the NMR conformation of the mature dimer, the calorimetry of the system, the effect of the precursor tail on the dimerization constant, the secondary chemical shifts of the monomer and the paramagnetic relaxation enhancement data associated with the conformations of the precursor. It is also found that, while the mature protein can dimerize in a single way, the precursor can populate several dimeric conformations in which the monomers are always native-like, but their binding can be non-native.
Related Links	http://dx.doi.org/10.1002/prot.24440
Ending Page	639
Page Count	7
Starting Page	633
File Format	PDF
ISSN	08873585
e-ISSN	10970134
Journal	Proteins
Issue Number	4
Volume Number	82
Language	English
Publisher Date	2014-04-01
Access Restriction	Open
Subject Keyword	Medicine(all) Research in Higher Education
Content Type	Text
Resource Type	Article
Subject	Structural Biology Biochemistry Molecular Biology

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The maturation of HIV-1 protease precursor studied by discrete molecular dynamics