Perturbation–Response Scanning reveals key residues for Allosteric Control in Hsp70:

Penkler, David L; Sensoy, Özge; Atilgan, Canan; Tastan Bishop, Özlem

Title: Perturbation–Response Scanning reveals key residues for Allosteric Control in Hsp70:
Creator: Penkler, David L, Sensoy, Özge, Atilgan, Canan, Tastan Bishop, Özlem
Date: 2017
Type: text
Type: article
Identifier: http://hdl.handle.net/10962/148195
Identifier: vital:38718
Identifier: DOI: 10.1021/acs.jcim.6b00775
Description: Hsp70 molecular chaperones play an important role in maintaining cellular homeostasis, and are implicated in a wide array of cellular processes, including protein recovery from aggregates, cross-membrane protein translocation, and protein biogenesis. Hsp70 consists of two domains, a nucleotide binding domain (NBD) and a substrate binding domain (SBD), each of which communicates via an allosteric mechanism such that the protein interconverts between two functional states, an ATP-bound open conformation and an ADP-bound closed conformation. The exact mechanism for interstate conversion is not as yet fully understood. However, the ligand-bound states of the NBD and SBD as well as interactions with cochaperones such as DnaJ and nucleotide exchange factor are thought to play crucial regulatory roles. In this study, we apply the perturbation–response scanning (PRS) method in combination with molecular dynamics simulations as a computational tool for the identification of allosteric hot residues in the large multidomain Hsp70 protein.
Format: 16 pages, pdf
Language: English
Relation: Journal of chemical information and modeling, Penkler, D., Sensoy, O., Atilgan, C. and Tastan Bishop, O., 2017. Perturbation–response scanning reveals key residues for allosteric control in Hsp70. Journal of chemical information and modeling, 57(6), pp.1359-1374., Journal of chemical information and modeling volume 57 number 6 1359 1374 May 2017 1549-960X
Rights: Publisher
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Tastan Bishop, Ozlem (Prof)

RU Research Unit in Bioinformatics (RUBi)

RU Department of Biochemistry, Microbiology and Bioinformatics

SDG 03. Good Health and Well-Being

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