Abstract：
:Protein structure determination by NMR methods has started in the mid-eighties and has been growing steadily since then. Ca. 14% of the protein structures deposited in the PDB have been solved by NMR. The evaluation of the quality of NMR structures however is still lacking a well-established practice. In this work, we examined various tools for the assessment of structural quality to ascertain the extent to which these tools could be applied to detect flaws in NMR structures. In particular, we investigated the variation in the scores assigned by these programs as a function of the deviation of the structures induced by errors in assignments or in the upper distance limits used. These perturbations did not distort radically the protein fold, but resulted in backbone RMS deviations up to 3 A, which is in line with errors highlighted in the available literature. We found that it is quite difficult to discriminate the structures perturbed because of misassignments from the original ones, also because the spread in score over the conformers of the original bundle is relatively large. varphi-psi distributions and normality scores related to the backbone conformation and to the distribution of side-chain dihedral angles are the most sensitive indicators of flaws.
journal_name
J Biomol NMRjournal_title
Journal of biomolecular NMRauthors
Saccenti E,Rosato Adoi
10.1007/s10858-008-9228-4subject
Has Abstractpub_date
2008-04-01 00:00:00pages
251-61issue
4eissn
0925-2738issn
1573-5001journal_volume
40pub_type
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
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journal_title：Journal of biomolecular NMR
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
doi：10.1007/BF00203824
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
doi：10.1007/BF00211750
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journal_title：Journal of biomolecular NMR
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
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pub_type： 杂志文章
doi：10.1007/s10858-006-9078-x
更新日期：2006-11-01 00:00:00
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
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更新日期：2005-02-01 00:00:00
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journal_title：Journal of biomolecular NMR
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更新日期：2005-04-01 00:00:00
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pub_type： 杂志文章
doi：10.1007/s10858-005-1846-5
更新日期：2004-11-01 00:00:00
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
doi：10.1007/s10858-015-9902-2
更新日期：2015-02-01 00:00:00
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
doi：10.1023/a:1011296112710
更新日期：2001-03-01 00:00:00
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pub_type： 杂志文章
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
doi：10.1007/BF00211783
更新日期：1995-09-01 00:00:00
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
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更新日期：2004-10-01 00:00:00
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pub_type： 杂志文章
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journal_title：Journal of biomolecular NMR
pub_type： 杂志文章
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