The NOESY Jigsaw: Automated Protein Secondary Structure and Main-Chain Assignment from Sparse, Unassigned NMR Data
نویسندگان
چکیده
منابع مشابه
Accurate Automated Protein NMR Structure Determination Using Unassigned NOESY Data
Conventional NMR structure determination requires nearly complete assignment of the cross peaks of a refined NOESY peak list. Depending on the size of the protein and quality of the spectral data, this can be a time-consuming manual process requiring several rounds of peak list refinement and structure determination. Programs such as Aria, CYANA, and AutoStructure can generate models using unas...
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Current software is almost at the stage to permit completely automatic structure determination of small proteins of <15 kDa, from NMR spectra to structure validation with minimal user interaction. This goal is welcome, as it makes structure calculation more objective and therefore more easily validated, without any loss in the quality of the structures generated. Moreover, it releases expert sp...
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0079-6565/$ see front matter Published by Elsevier doi:10.1016/j.pnmrs.2008.12.001 Abbreviations: NMR, Nuclear Magnetic Resonan RMSD, mean square deviation; HSQC, heteronuclea spectroscopy; NOE, Nuclear Overhauser Effect; RDC, re Protein Data Bank; pol g, zinc finger domain of the hu CH, C Ha; hSRI, human Set2-Rpb1 interacting do human transcription elongation factor CA150 (RN domain interactin...
متن کاملAutomated combined assignment of NOESY spectra and three-dimensional protein structure determination.
A procedure for automated protein structure determination is presented that is based on an iterative procedure during which the NOESY peak list assignment and the structure calculation are performed simultaneously. The input consists of a list of NOESY peak positions and a list of chemical shifts as obtained from sequence-specific resonance assignment. For the present applications of this appro...
متن کاملProtein Structure -ading Determination Using Protein and Sparse NMR Data
It is well known that the NMR method for protein structure determination applies to small proteins and that its effectiveness decreases very rapidly as the molecular weight increases beyond about 30 kD. We have recently developed a method for protein structure determination that can fully utilize partial NMR data as calculation constraints. The core of the method is a threading algorithm that g...
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ژورنال
عنوان ژورنال: Journal of Computational Biology
سال: 2000
ISSN: 1066-5277,1557-8666
DOI: 10.1089/106652700750050934