Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex

Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex

The NF-κB family of transcription factors controls a number of essential cellular functions. Pirin is a non-heme iron (Fe) redox specific co-regulator of NF-κB (p65) and has been shown to modulate the affinity between the homodimeric p65 and the DNA. The allosteric effect of the active Fe(III) form...

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Bibliographic Details
Main Author: Adeniran, Charles
Format: Others
Published: ScholarWorks @ Georgia State University 2017
Subjects:
NF-κB
Pirin
DNA
Transcription Factor
Precursor Protein
Iron
Online Access:http://scholarworks.gsu.edu/chemistry_theses/108
http://scholarworks.gsu.edu/cgi/viewcontent.cgi?article=1109&context=chemistry_theses
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spelling ndltd-GEORGIA-oai-scholarworks.gsu.edu-chemistry_theses-11092017-08-03T15:30:07Z Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex Adeniran, Charles The NF-κB family of transcription factors controls a number of essential cellular functions. Pirin is a non-heme iron (Fe) redox specific co-regulator of NF-κB (p65) and has been shown to modulate the affinity between the homodimeric p65 and the DNA. The allosteric effect of the active Fe(III) form of Pirin on the DNA is not known and has not been investigated. We carry out multiple microsecond-long molecular dynamics simulations of the free DNA, p65-DNA complex, and the Pirin-p65-DNA supramolecular complexes in explicit water. We show that, unlike the Fe(II) form of Pirin, the Fe(III) form in the Pirin-p65-DNA supramolecular complex enhances the interactions and affinity between p65 and the DNA, in agreement with experiments. The results further provide atomistic details of the effect of the Fe(III) form of Pirin on the DNA upon binding to p65 to form the supramolecular complex. 2017-08-08T07:00:00Z text application/pdf http://scholarworks.gsu.edu/chemistry_theses/108 http://scholarworks.gsu.edu/cgi/viewcontent.cgi?article=1109&context=chemistry_theses Chemistry Theses ScholarWorks @ Georgia State University NF-κB Pirin DNA Transcription Factor Precursor Protein Iron
collection NDLTD
format Others
sources NDLTD
topic NF-κB
Pirin
DNA
Transcription Factor
Precursor Protein
Iron
spellingShingle NF-κB
Pirin
DNA
Transcription Factor
Precursor Protein
Iron
Adeniran, Charles
Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex
description The NF-κB family of transcription factors controls a number of essential cellular functions. Pirin is a non-heme iron (Fe) redox specific co-regulator of NF-κB (p65) and has been shown to modulate the affinity between the homodimeric p65 and the DNA. The allosteric effect of the active Fe(III) form of Pirin on the DNA is not known and has not been investigated. We carry out multiple microsecond-long molecular dynamics simulations of the free DNA, p65-DNA complex, and the Pirin-p65-DNA supramolecular complexes in explicit water. We show that, unlike the Fe(II) form of Pirin, the Fe(III) form in the Pirin-p65-DNA supramolecular complex enhances the interactions and affinity between p65 and the DNA, in agreement with experiments. The results further provide atomistic details of the effect of the Fe(III) form of Pirin on the DNA upon binding to p65 to form the supramolecular complex.
author Adeniran, Charles
author_facet Adeniran, Charles
author_sort Adeniran, Charles
title Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex
title_short Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex
title_full Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex
title_fullStr Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex
title_full_unstemmed Pirin Allosterically Modulates The Dynamics And Interactions Of The κB DNA In The NF-κB Supramolecular Complex
title_sort pirin allosterically modulates the dynamics and interactions of the κb dna in the nf-κb supramolecular complex
publisher ScholarWorks @ Georgia State University
publishDate 2017
url http://scholarworks.gsu.edu/chemistry_theses/108
http://scholarworks.gsu.edu/cgi/viewcontent.cgi?article=1109&context=chemistry_theses
work_keys_str_mv AT adenirancharles pirinallostericallymodulatesthedynamicsandinteractionsofthekbdnainthenfkbsupramolecularcomplex
_version_ 1718511125604073472

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