Title

Structure determination of a new protein from backbone-centered NMR data and NMR-assisted structure prediction

Document Type

Article

Publication Date

2006

Abstract

Targeting of proteins for structure determination in structural genomic programs often includes the use of threading and fold recognition methods to exclude proteins belonging to well-populated fold families, but such methods can still fail to recognize preexisting folds. The authors illustrate here a method in which limited amounts of structural data are used to improve an initial homology search and the data are subsequently used to produce a structure by data-constrained refinement of an identified structural template. The data used are primarily NMR-based residual dipolar couplings, but they also include additional chemical shift and backbone-nuclear Overhauser effect data. Using this methodology, a backbone structure was efficiently produced for a 10 kDa protein (PF1455) from Pyrococcus furiosus. Its relationship to existing structures and its probable function are discussed. © 2006 Wiley-Liss, Inc.

Publication Title

Proteins: Structure, Function and Genetics

Volume

65

First Page

480

Last Page

489

Comments

This article was published in Proteins: Structure, Function and Genetics, Volume 65, Issue 2, Pages 480-489.

The published version is available at http://dx.doi.org/10.1002/prot.21119.

Copyright © 2006 Wiley.

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