完整後設資料紀錄
DC 欄位語言
dc.contributor.authorLiu, Yen-Yien_US
dc.contributor.authorShih, Chien-Huaen_US
dc.contributor.authorHwang, Jenn-Kangen_US
dc.contributor.authorChen, Chih-Chiehen_US
dc.date.accessioned2014-12-08T15:29:42Z-
dc.date.available2014-12-08T15:29:42Z-
dc.date.issued2013-04-10en_US
dc.identifier.issn0378-1119en_US
dc.identifier.urihttp://dx.doi.org/10.1016/j.gene.2012.11.086en_US
dc.identifier.urihttp://hdl.handle.net/11536/21323-
dc.description.abstractDynamic information in proteins may provide valuable information for understanding allosteric regulation of protein complexes or long-range effects of the mutations on enzyme activity. Experimental data such as X-ray B-factors or NMR order parameters provide a convenient estimate of atomic fluctuations (or atomic auto-correlated motions) in proteins. However, it is not as straightforward to obtain atomic cross-correlated motions in proteins - one usually resorts to more sophisticated computational methods such as Molecular Dynamics, normal mode analysis or atomic network models. In this report, we show that atomic cross-correlations can be reliably obtained directly from protein structure using X-ray refinement data. We have derived an analytic form of atomic correlated motions in terms of the original MS parameters used to refine the B-factors of X-ray structures. The correlated maps computed using this equation are well correlated with those of the method based on a mechanical model (the correlation coefficient is 0.75) for a non-homologous dataset comprising 100 structures. We have developed an approach to compute atomic cross-correlations directly from X-ray protein structure. Being in analytic form, it is fast and provides a feasible way to compute correlated motions in proteins in a high throughput way. In addition, avoiding sophisticated computational operations; it provides a quick, reliable way, especially for non-computational biologists, to obtain dynamics information directly from protein structure relevant to its function. (c) 2012 Elsevier B.V. All rights reserved.en_US
dc.language.isoen_USen_US
dc.subjectTLS parameteren_US
dc.subjectTLS modelen_US
dc.subjectCorrelated motionen_US
dc.subjectAtomic cross-correlationen_US
dc.titleDeriving correlated motions in proteins from X-ray structure refinement by using TLS parametersen_US
dc.typeArticle; Proceedings Paperen_US
dc.identifier.doi10.1016/j.gene.2012.11.086en_US
dc.identifier.journalGENEen_US
dc.citation.volume518en_US
dc.citation.issue1en_US
dc.citation.spage52en_US
dc.citation.epage58en_US
dc.contributor.department生物資訊及系統生物研究所zh_TW
dc.contributor.departmentInstitude of Bioinformatics and Systems Biologyen_US
dc.identifier.wosnumberWOS:000316424100008-
顯示於類別:會議論文


文件中的檔案:

  1. 000316424100008.pdf

若為 zip 檔案,請下載檔案解壓縮後,用瀏覽器開啟資料夾中的 index.html 瀏覽全文。