| High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases. | |
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MedLine Citation:
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PMID: 19089945 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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The influence of pressure on the equilibrium between five-(5c) and six-coordination (6c) forms in neuroglobin (Ngb) and myoglobin (Mb) has been examined by means of molecular dynamics (MD) simulations at normal and high pressure. The results show that the main effect of high pressure is to reduce the protein mobility without altering the structure in a significant manner. Moreover, our data suggest that the equilibrium between 5c and 6c states in globins is largely controlled by the structure and dynamics of the C-D region. Finally, in agreement with the available experimental data, the free energy profiles obtained from steered MD for both proteins indicate that high pressure enhances hexacoordination. In Ngb, the shift in equilibrium is mainly related to an increase in the 6c-->5c transition barrier, whereas in Mb such a shift is primarily due to a destabilization of the 5c state. |
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Authors:
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L Capece; M A Marti; A Bidon-Chanal; A Nadra; F J Luque; D A Estrin |
Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't |
Journal Detail:
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Title: Proteins Volume: 75 ISSN: 1097-0134 ISO Abbreviation: Proteins Publication Date: 2009 Jun |
Date Detail:
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Created Date: 2009-06-01 Completed Date: 2009-09-08 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 8700181 Medline TA: Proteins Country: United States |
Other Details:
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Languages: eng Pagination: 885-94 Citation Subset: IM |
Copyright Information:
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Copyright 2008 Wiley-Liss, Inc. |
Affiliation:
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Departamento de Química Inorgánica, Analítica y Química Física/ INQUIMAE-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, Buenos Aires, C1428EHA Argentina. |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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Animals Computer Simulation Data Interpretation, Statistical Entropy Globins / chemistry* Humans Mice Models, Molecular Myoglobin / chemistry* Nerve Tissue Proteins / chemistry* Pressure Protein Conformation Protein Structure, Tertiary Thermodynamics |
| Chemical | |
Reg. No./Substance:
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0/Myoglobin; 0/Nerve Tissue Proteins; 0/neuroglobin; 9004-22-2/Globins |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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