期刊
NUCLEIC ACIDS RESEARCH
卷 40, 期 D1, 页码 D519-D524出版社
OXFORD UNIV PRESS
DOI: 10.1093/nar/gkr1134
关键词
-
资金
- Netherlands Organization for Scientific Research (NWO) [700.55.443]
- Netherlands Bioinformatics Centre (NBIC)
- EU [LSHG-CT-2005-018988, LHSG-CT-2004-512092]
- Brussels Institute for Research and Innovation (Innoviris) [BB2B 2010-1-12]
- US National Library of Medicine [LM05799]
- Radboud University Medical Centre
- [261572]
- Biotechnology and Biological Sciences Research Council [BB/J007897/1] Funding Source: researchfish
- BBSRC [BB/J007897/1] Funding Source: UKRI
For many macromolecular NMR ensembles from the Protein Data Bank (PDB) the experiment-based restraint lists are available, while other experimental data, mainly chemical shift values, are often available from the BioMagResBank. The accuracy and precision of the coordinates in these macromolecular NMR ensembles can be improved by recalculation using the available experimental data and present-day software. Such efforts, however, generally fail on half of all NMR ensembles due to the syntactic and semantic heterogeneity of the underlying data and the wide variety of formats used for their deposition. We have combined the remediated restraint information from our NMR Restraints Grid (NRG) database with available chemical shifts from the BioMagResBank and the Common Interface for NMR structure Generation (CING) structure validation reports into the weekly updated NRG-CING database (http://nmr.cmbi.ru.nl/NRG-CING). Eleven programs have been included in the NRG-CING production pipeline to arrive at validation reports that list for each entry the potential inconsistencies between the coordinates and the available experimental NMR data. The longitudinal validation of these data in a publicly available relational database yields a set of indicators that can be used to judge the quality of every macromolecular structure solved with NMR. The remediated NMR experimental data sets and validation reports are freely available online.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据