Abstract:
:The prediction of binding sites and the understanding of interfaces associated with protein complexation remains an open problem in molecular biophysics. This work shows that a crucial factor in predicting and rationalizing protein-protein interfaces can be inferred by assessing the extent of intramolecular desolvation of backbone hydrogen bonds in monomeric structures. Our statistical analysis of native structures shows that, in the majority of soluble proteins, most backbone hydrogen bonds are thoroughly wrapped intramolecularly by nonpolar groups except for a few ones. These latter underwrapped hydrogen bonds may be dramatically stabilized by removal of water. This fact implies that packing defects are "sticky" in a way that decisively contributes to determining the binding sites for proteins, as an examination of numerous complexes demonstrates.
journal_name
Proc Natl Acad Sci U S Aauthors
Fernández A,Scheraga HAdoi
10.1073/pnas.0136888100keywords:
subject
Has Abstractpub_date
2003-01-07 00:00:00pages
113-8issue
1eissn
0027-8424issn
1091-6490pii
0136888100journal_volume
100pub_type
杂志文章abstract::The 1H NMR signal from oxymyoglobin, a low-concentration diamagnetic protein, is visible in myocardial tissue. The methyl group of the Val-E11 resonates in a clear spectral region at -2.76 ppm and responds to dynamic changes in cellular oxygenation. With CO, the signal shifts to -2.4 ppm. The Val-E11 peak assignment a...
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
pub_type: 杂志文章
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pub_type: 杂志文章
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
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更新日期:2009-02-24 00:00:00
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
pub_type: 杂志文章
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更新日期:1994-03-29 00:00:00
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
pub_type: 杂志文章
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更新日期:2012-04-10 00:00:00
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
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更新日期:2008-11-18 00:00:00
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
pub_type: 临床试验,杂志文章
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
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更新日期:2000-09-12 00:00:00
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journal_title:Proceedings of the National Academy of Sciences of the United States of America
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pub_type: 杂志文章
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