Correlated inter-domain motions in adenylate kinase.
Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape i...
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2014-07-01
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Series: | PLoS Computational Biology |
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doaj-2f49603ff3f7441abbf15bf33c58276a2020-11-25T01:37:03ZengPublic Library of Science (PLoS)PLoS Computational Biology1553-734X1553-73582014-07-01107e100372110.1371/journal.pcbi.1003721Correlated inter-domain motions in adenylate kinase.Santiago Esteban-MartínRobert Bryn FenwickJörgen ÅdénBenjamin CossinsCarlos W BertonciniVictor GuallarMagnus Wolf-WatzXavier SalvatellaCorrelated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape information encoded in residual dipolar couplings (RDCs) measured under steric alignment by nuclear magnetic resonance (NMR). We find experimental evidence for a multi-state equilibrium distribution along the opening/closing pathway of Adenylate Kinase, previously proposed from computational work, in which inter-domain interactions disfavour states where only the AMP binding domain is closed. In summary, we provide a robust experimental technique for study of allosteric regulation in AK and other enzymes.http://europepmc.org/articles/PMC4117416?pdf=render |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Santiago Esteban-Martín Robert Bryn Fenwick Jörgen Ådén Benjamin Cossins Carlos W Bertoncini Victor Guallar Magnus Wolf-Watz Xavier Salvatella |
spellingShingle |
Santiago Esteban-Martín Robert Bryn Fenwick Jörgen Ådén Benjamin Cossins Carlos W Bertoncini Victor Guallar Magnus Wolf-Watz Xavier Salvatella Correlated inter-domain motions in adenylate kinase. PLoS Computational Biology |
author_facet |
Santiago Esteban-Martín Robert Bryn Fenwick Jörgen Ådén Benjamin Cossins Carlos W Bertoncini Victor Guallar Magnus Wolf-Watz Xavier Salvatella |
author_sort |
Santiago Esteban-Martín |
title |
Correlated inter-domain motions in adenylate kinase. |
title_short |
Correlated inter-domain motions in adenylate kinase. |
title_full |
Correlated inter-domain motions in adenylate kinase. |
title_fullStr |
Correlated inter-domain motions in adenylate kinase. |
title_full_unstemmed |
Correlated inter-domain motions in adenylate kinase. |
title_sort |
correlated inter-domain motions in adenylate kinase. |
publisher |
Public Library of Science (PLoS) |
series |
PLoS Computational Biology |
issn |
1553-734X 1553-7358 |
publishDate |
2014-07-01 |
description |
Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape information encoded in residual dipolar couplings (RDCs) measured under steric alignment by nuclear magnetic resonance (NMR). We find experimental evidence for a multi-state equilibrium distribution along the opening/closing pathway of Adenylate Kinase, previously proposed from computational work, in which inter-domain interactions disfavour states where only the AMP binding domain is closed. In summary, we provide a robust experimental technique for study of allosteric regulation in AK and other enzymes. |
url |
http://europepmc.org/articles/PMC4117416?pdf=render |
work_keys_str_mv |
AT santiagoestebanmartin correlatedinterdomainmotionsinadenylatekinase AT robertbrynfenwick correlatedinterdomainmotionsinadenylatekinase AT jorgenaden correlatedinterdomainmotionsinadenylatekinase AT benjamincossins correlatedinterdomainmotionsinadenylatekinase AT carloswbertoncini correlatedinterdomainmotionsinadenylatekinase AT victorguallar correlatedinterdomainmotionsinadenylatekinase AT magnuswolfwatz correlatedinterdomainmotionsinadenylatekinase AT xaviersalvatella correlatedinterdomainmotionsinadenylatekinase |
_version_ |
1725059941450907648 |